Information card for entry 2224779

Structure parameters

• Common name: 6-hydroxysalvinolone
• Chemical name: 5,6,10-trihydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a-tetrahydrophenanthren- 9(1<i>H</i>)-one
• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: OC1=C2C(CCC[C@@]2(c2c(C1=O)cc(c(O)c2O)C(C)C)C)(C)C
• Title of publication: Redetermination and absolute configuration of 6-hydroxysalvinolone
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o146 - o147
• a: 9.4908 ± 0.0001 Å
• b: 13.1684 ± 0.0002 Å
• c: 13.8105 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1726.02 ± 0.04 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: 0.0331
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes