Information card for entry 2007551

Structure parameters

• Common name: 9-Deoxy-15-hydroxycotylenol
• Chemical name: 9-Deoxy-15-hydroxycotylenol
• Formula: C21 H34 O4
• Calculated formula: C21 H34 O4
• SMILES: COC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)CCC(=C1C[C@@H]([C@@H]2C)O)C(O)(C)C
• Title of publication: 9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol
• Authors of publication: Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1165 - 1168
• a: 11.898 ± 0.003 Å
• b: 29.39 ± 0.005 Å
• c: 11.634 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4068.2 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.083
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.189
• Weighted residual factors for significantly intense reflections: 0.168
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No