Information card for entry 2229242

Structure parameters

• Chemical name: 16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^] hexadec-15-ene-5,14-dimethanol
• Formula: C23 H38 O2
• Calculated formula: C23 H38 O2
• SMILES: OC[C@@H]1C[C@H]2C[C@H]3[C@]1(CC[C@@H]1[C@]3(C)CCC[C@@]1(C)CO)C=C2C(C)C
• Title of publication: 16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,14-dimethanol
• Authors of publication: Li, Jian; Rao, Xiao-ping; Shang, Shi-bin; Gao, Yanqing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o359
• a: 12.986 ± 0.003 Å
• b: 25.583 ± 0.005 Å
• c: 14.292 ± 0.003 Å
• α: 90°
• β: 116.19 ± 0.03°
• γ: 90°
• Cell volume: 4260.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1132
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes