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Crystallographic Analysis of Acetyl β ‐boswellic acid
Authors:V. Rajnikant  V.K. Gupta  V.D. Rangari  S.R. Bapat  R.B. Agarwal  R. Gupta
Abstract:The crystal structure of the title compound (3 α ‐acetoxy‐urs‐12‐en‐24‐oic acid, C32H50O4) has been determined by X‐ray crystallographic techniques. The compound crystallizes into orthorhombic space group P212121 with unit cell parameters : a = 12.773(2), b=16.381(4), c=27.929(7)Å. The structure has been solved by direct methods and refined to R = 0.054 for 4930 observed reflections. The structure contains two crystallographically independent molecules in the asymmetric unit which are almost identical in geometry. Rings A, B, D and E have chair conformations while ring C assumes a sofa conformation in both the molecules. The molecules in the structure are linked together by intra‐ and intermolecular O‐H…= and C‐H…O hydrogen bonds.
Keywords:X‐ray crystallography  crystal structure  ring conformation  terpenoid  single crystal X‐ray diffractometer  X‐ray diffraction
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