Information card for entry 2005243

Structure parameters

• Formula: C35 H50
• Calculated formula: C35 H50
• SMILES: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cc3ccccc3cc1C2)C)C
• Title of publication: Naphtho[2,3-<i>b</i>]cholestane
• Authors of publication: Parvez, M.; Nicholson, R.; Simion, D.; Sorensen, T. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2113 - 2115
• a: 6.553 ± 0.004 Å
• b: 10.893 ± 0.004 Å
• c: 20.492 ± 0.002 Å
• α: 90°
• β: 94.09 ± 0.02°
• γ: 90°
• Cell volume: 1459 ± 1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.0611
• Goodness-of-fit parameter for significantly intense reflections: 3.158
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No