Information card for entry 2237624

Structure parameters

• Common name: viridiol
• Chemical name: 1β,3β-Dihydroxy-2β-methoxyfuro[4',3',2':4,5,6]-18-norandrosta-8,11,13-triene-7,17-dione
• Formula: C20 H18 O6
• Calculated formula: C20 H18 O6
• SMILES: [C@H]1([C@@H]([C@@H](c2c3c(C(=O)c4c([C@@]13C)ccc1c4CCC1=O)oc2)O)OC)O
• Title of publication: The furanosteroid viridiol
• Authors of publication: Andersson, Pierre F.; Broberg, Anders; Lundberg, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o467 - o468
• a: 6.8285 ± 0.0002 Å
• b: 20.1939 ± 0.0006 Å
• c: 22.4344 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3093.57 ± 0.15 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.087
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes