Information card for entry 1519520

Structure parameters

• Formula: C27 H48
• Calculated formula: C27 H48
• SMILES: C1CCC[C@@H]2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CC[C@@H]1[C@H](C)CCCC(C)C)C
• Title of publication: 5alpha-cholestane - C27H48
• Authors of publication: Frampton, C. S.; Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 51
• a: 11.3936 ± 0.0003 Å
• b: 10.8972 ± 0.0003 Å
• c: 19.5047 ± 0.0007 Å
• α: 90°
• β: 104.239 ± 0.001°
• γ: 90°
• Cell volume: 2347.27 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No