Information card for entry 8106993

Structure parameters

• Formula: C20 H34 O4
• Calculated formula: C20 H34 O4
• SMILES: C1[C@@H](CC([C@H]2[C@@H](C[C@]34[C@H]([C@]12C)CC[C@H](C3)C(=C)[C@@H]4O)O)(C)C)O.O
• Title of publication: Crystal structure of 5,5,9,13-tetramethyltetracyclo[10·2·1·01,10·04,9]pentadecane-3,7,14-triol, C20H34O4
• Authors of publication: Zhao, Chen-Liang; Zhang, Jing-Jie; Zhang, Qi-Long; Pan, Lu-Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 745 - 746
• a: 6.222 ± 0.002 Å
• b: 13.705 ± 0.005 Å
• c: 21.903 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1867.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1091
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No