Information card for entry 2207058

Structure parameters

• Chemical name: rac-(1S,11S,15S)-1-Hydroxymethylbicyclo[9.3.1]pentadecan-15-ol
• Formula: C16 H30 O2
• Calculated formula: C16 H30 O2
• SMILES: O[C@@H]1[C@@]2(CCCCCCCCC[C@@H]1CCC2)CO.O[C@H]1[C@]2(CCCCCCCCC[C@H]1CCC2)CO
• Title of publication: <i>rac</i>-(1<i>S</i>,11<i>S</i>,15<i>S</i>)-1-Hydroxymethylbicyclo[9.3.1]pentadecan-15-ol
• Authors of publication: Fresu, Sonia; Müller, Kai-Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3440 - o3441
• a: 13.0319 ± 0.0007 Å
• b: 8.4862 ± 0.0004 Å
• c: 14.4047 ± 0.0009 Å
• α: 90°
• β: 110.539 ± 0.003°
• γ: 90°
• Cell volume: 1491.77 ± 0.14 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes