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71.
5,5-Di t-butyl-2,2-biphenyldiol (I), C20H26O2, crystallizes in the orthorhombic space group P212121 with a = 18.243(2), b = 9.947(2), c = 9.685(3) Å, and Z = 4; 5,5-dimethyl-2,2-biphenyldiol (II), C14H14O2, crystallizes in the monoclinic space group P21/c with a = 9.959(2), b = 7.932(3), c = 15.392(2) Å, = 105.43(2)°, and Z = 4. The aromatic rings are tilted by 52.7(1) and 43.8(1)° to each other in compounds (I) and (II), respectively. Strong intra- and inter-molecular H-bonds connect the molecules in the crystals. 相似文献
72.
Alicja Kowalska Krystian Pluta Andrzej Masślankiewicz Roman Luboradzki 《Journal of chemical crystallography》1999,29(1):103-106
The title compound (C8H10N4O2) is monoclinic, with a = 7.740(2), b = 17.044(7), c = 6.992(3) Å, = 100.60(1)°, and space group P21/c. Two O-methyl groups are coplanar with the pyrimidine ring. Whereas, the O(6)-methyl group is directed away from the imidazole ring toward the N(1) atom, the O(2)-methyl is pointed away from the N(1) atom toward the N(3) atom. Two intermolecular hydrogen bonds H(8)···N(1) and H(711)···O(2) of 2.48(2) and 2.58(3) Å make a linear arrangement of the molecules. The conformation of the O-methyl groups explains some results of thermal rearrangement of 2,6-dialkoxy-7-methylpurines and differences in alkylations of 2,4-dialkoxypyrimidines and 2,6-dialkoxy-7-methylpurines. 相似文献
73.
Stephanie D. Warner Anne-Marie Lebuis Jean-Pierre Farant Ian S. Butler 《Journal of chemical crystallography》2003,33(3):213-217
In 6-nitrobenzo(a)pyrene, an environmental pollutant, the nitro substituent lies at 69.5(1) to the mean plane of the aromatic moiety. The C–C bond distances range from 1.341(3) to 1.443(3) Å. The crystal is in the monoclinic space group, P21/c, with a = 8.3239(3) Å, b = 8.9530(3) Å, c = 18.0678(5) Å, = 99.264(2) and Z = 4. Molecules are assembled in sheets in the unit cell through stacking and alternating C–H O interactions. 相似文献
74.
The structural characterization of the orientation and elongation under shear flow in Lyotropic Chromonic Liquid Crystals (LCLCs) molecules, Sunset Yellow FCF (SSY), was performed by in situ rheological small/wide angle X-ray scattering (Rheo-SAXS/WAXS). The X-ray measurement results clearly demonstrated that the stacked aggregates were oriented and elongated to the shear direction under shear flow. Further shear rate increase caused the enhancement in the orientation and elongation with the inter-aggregate distance constant, and then the structural change decreased implying the onset of the orientation saturation at high shear rates. 相似文献
75.
Vijayanand Chandrasekaran Eugen Johannes Hauke Kobarg Frank D S?nnichsen Thisbe K Lindhorst 《ChemistryOpen》2014,3(3):99-108
Spatial orientation of carbohydrates is a meaningful parameter in carbohydrate recognition processes. To vary orientation of sugars with temporal and spatial resolution, photosensitive glycoconjugates with favorable photochromic properties appear to be opportune. Here, a series of azobenzene glycosides were synthesized, employing glycoside synthesis and Mills reaction, to allow “switching” of carbohydrate orientation by reversible E/Z isomerization of the azobenzene N=N double bond. Their photochromic properties were tested and effects of azobenzene substitution as well as the effect of anomeric configuration and the orientation of the sugars 2-hydroxy group were evaluated. 相似文献
76.
D.B. WestR.W. Truss 《Polymer Testing》2012,31(2):209-216
This paper uses the random fatigue limit (RFL) model of Pascual and Meeker to address fatigue limits for PVC pressure pipes. This model differs from previous ways of describing fatigue data for PVC by recognising that the fatigue limit is a stochastic quantity rather than a single valued stress amplitude below which fatigue failures will not occur. By analysing published fatigue data, it is demonstrated that the RFL model is capable of quantifying fatigue limit variability and its influence on fatigue life variability. Moreover, the RFL model was used to illustrate the risks associated with defining fatigue limits based on small quantities of high-cycle fatigue data. In particular, it is shown that fatigue failure can occur below the mean fatigue limit and that the RFL model is capable of quantifying the probability of failure at a given level of stress amplitude. 相似文献
77.
Denis Korolkov Peter Busch Lutz Willner Emmanuel Kentzinger Ulrich Rücker Amitesh Paul Henrich Frielinghaus Thomas Brückel 《Journal of Applied Crystallography》2012,45(2):245-254
A formalism is presented which allows the quantitative evaluation of data from grazing‐incidence small‐angle neutron and X‐ray scattering – GISANS and GISAXS – in the framework of the distorted wave Born approximation. While several aspects have been reported previously, this formalism combines solutions for scattering intensities in both reflection and transmission hemispheres, taking into account instrumental resolution effects. This formalism is applied to the case of GISANS from self‐organized diblock copolymers, ordered in perpendicular lamellar structures on an Si wafer in randomly oriented short‐range‐ordered regions. The periodicity of D = 85 (9) nm found for deuterated polystyrene–polybutadiene of molecular weight Mw = 165 kg mol−1 and a molecular weight fraction of the deuterated polystyrene block of 52% is consistent with atomic force microscopy and specular neutron reflectivity results. 相似文献
78.
Florian Bachmann Helmut Schaeben Ralf Hielscher 《Journal of Applied Crystallography》2012,45(6):1173-1181
Pole figure measurements with an X‐ray texture goniometer equipped with a point detector are rather time consuming: depending on the angular resolution to be recorded, of the order of several hours per pole figure. Conventionally, the pole hemisphere is scanned along latitudinal small circles according to a regular grid of constant step sizes in both the azimuthal and the polar angle. In the case of sharp textures an adaptive successive local refinement strategy of the pole hemisphere may offer a better performance in less time. Then the measurement positions of the grid are highly irregularly distributed over the pole hemisphere. To avoid erratic movements when turning the specimen, the scanning order is optimized by means of resolving a travelling salesman problem such that the total travelling time is minimized. Several algorithms are described resolving the travelling salesman problem with respect to the irregular grid to be applied for each pole figure and for each step of successive refinement. A practical application to pole figure measurements exposes total savings of about 1/8 compared to the conventional scanning order. Successive local refinement of the experimental design and optimization of the order of its measurement positions are well suited to the purpose of controlling a texture goniometer. 相似文献
79.
Thomas Gnupel‐Herold 《Journal of Applied Crystallography》2009,42(2):192-197
A method is outlined that allows the determination of one‐dimensional stress gradients at length scales greater than 0.2 mm. By using standard four‐circle X‐ray diffractometer equipment and simple aperture components, length resolutions down to 0.05 mm in one direction can be achieved through constant orientation of a narrow, line‐shaped beam spot. Angle calculations are given for the adjustment of goniometer angles, and for the effective azimuth and tilt of the scattering vector for general angle settings in a four‐circle goniometer. The latter is necessary for the computation of stresses from lattice strain measurements. 相似文献
80.
J. K. Mason 《Acta Crystallographica. Section A, Foundations and Advances》2009,65(4):259-266
The expansion of an orientation distribution function as a linear combination of the hyperspherical harmonics suggests that the analysis of crystallographic orientation information may be performed entirely in the axis–angle parameterization. Practical implementation of this requires an understanding of the properties of the hyperspherical harmonics. An addition theorem for the hyperspherical harmonics and an explicit formula for the relevant irreducible representatives of SO(4) are provided. The addition theorem is useful for performing convolutions of orientation distribution functions, while the irreducible representatives enable the construction of symmetric hyperspherical harmonics consistent with the crystal and sample symmetries. 相似文献