Information card for entry 2226957

Structure parameters

• Common name: Vouacapen-5α-ol
• Chemical name: (4a<i>R</i>,6a<i>S</i>,7<i>R</i>,11a<i>S</i>,11b<i>R</i>)-4,4,7,11b- tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b- dodecahydrophenanthro[3,2-<i>b</i>]furan-4a-ol
• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: o1c2C[C@H]3[C@@H](CC[C@@]4(O)C(CCC[C@]34C)(C)C)[C@H](c2cc1)C
• Title of publication: Absolute configuration of vouacapen-5α-ol
• Authors of publication: Fun, Hoong-Kun; Yodsaoue, Orapun; Chantrapromma, Suchada; Karalai, Chatchanok
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2166 - o2167
• a: 6.7367 ± 0.0002 Å
• b: 12.7818 ± 0.0003 Å
• c: 19.3472 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.93 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0292
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes