Information card for entry 2209189

Structure parameters

• Common name: 1-Diamantanol
• Chemical name: 1-Hydroxydiamantane
• Formula: C14 H20 O
• Calculated formula: C14 H20 O
• SMILES: OC12[C@H]3CC4CC5[C@H]3CC(C[C@@H]5[C@H]1C4)C2
• Title of publication: 1-Hydroxydiamantane
• Authors of publication: Chu-Yi Yu; Qian Li; Li-Ben Wang; Hong-Wei Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2369 - o2370
• a: 16.572 ± 0.002 Å
• b: 16.572 ± 0.002 Å
• c: 7.7879 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2138.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes