Information card for entry 2003425

Structure parameters

• Chemical name: cholesteryl-4-vinylbenzoate
• Formula: C36 H52 O2
• Calculated formula: C36 H52 O2
• SMILES: C=Cc1ccc(cc1)C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C
• Title of publication: Cholesteryl 4-Vinylbenzoate
• Authors of publication: Socci, E. P.; Farmer, B. L.; Chabinyc, M. L.; Fratini, A. V.; Bunning, T. J.; Adams, W. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 888 - 891
• a: 13.755 ± 0.002 Å
• b: 24.817 ± 0.003 Å
• c: 9.101 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3106.7 ± 0.9 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 1.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo_Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No