Information card for entry 2223552

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: 6-Hydroxysalvinolone
• Authors of publication: Salae, Abdul Wahab; Chantrapromma, Suchada; Fun, Hoong-Kun; Karalai, Chatchanok
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2379 - o2380
• a: 9.4946 ± 0.0001 Å
• b: 13.1716 ± 0.0001 Å
• c: 13.8124 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.37 ± 0.03 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: 0.044
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes