Information card for entry 2215459

Structure parameters

• Common name: Pterodondiol
• Chemical name: Pterodondiol
• Formula: C15 H28 O2
• Calculated formula: C15 H28 O2
• SMILES: C1CC[C@@]([C@H]2[C@@]1(C)CC[C@@H](C2)C(C)(C)O)(C)O
• Title of publication: Pterodondiol
• Authors of publication: Mei, Zhi-nan; Li, Yun-fang; Yang, Guang-zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4010 - o4010
• a: 15.9298 ± 0.0016 Å
• b: 11.8296 ± 0.0012 Å
• c: 16.8033 ± 0.0017 Å
• α: 90°
• β: 108.502 ± 0.002°
• γ: 90°
• Cell volume: 3002.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes