Information card for entry 2205100

Structure parameters

• Common name: 4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one
• Chemical name: 4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one
• Formula: C30 H50 O
• Calculated formula: C30 H50 O
• SMILES: CC(=CCC[C@@]1(C)CC[C@@]2([C@](C1)(C)CC[C@]1([C@H]2CC[C@@]2([C@@H]1CCC(=O)[C@H]2C)C)C)C)C
• Title of publication: 4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one
• Authors of publication: Liu, Ke-Yue; Gao, Wen-Yuan; Zhang, Tie-Jun; Chen, Hai-Xia; Surname, Zhou-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o391 - o392
• a: 11.33 ± 0.002 Å
• b: 6.9142 ± 0.0013 Å
• c: 17.913 ± 0.003 Å
• α: 90°
• β: 107.145 ± 0.003°
• γ: 90°
• Cell volume: 1340.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes