Information card for entry 2212245

Structure parameters

• Common name: 7-Glycoloyl-2-hydroxy-1,4b,7,10a-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a- decahydro-3(4H)-phenanthrenone
• Chemical name: 7-Glycoloyl-2-hydroxy-1,4b,7,10a-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a- decahydrophenanthren-3(4H)-one
• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: OCC(=O)[C@@]1(C)CC[C@]2([C@H](C1)CC[C@]1([C@@H]2CC(=O)C(=C1C)O)C)C
• Title of publication: 7-Glycoloyl-2-hydroxy-1,4b,7,10a-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-3(4<i>H</i>)-one
• Authors of publication: Suchada Chantrapromma; Hoong-Kun Fun; Charoen Pakhathirathien; Chatchanok Karalai; Kan Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o459 - o461
• a: 7.8316 ± 0.0004 Å
• b: 21.025 ± 0.0009 Å
• c: 32.0885 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5283.7 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0591
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes