Information card for entry 2225311

Structure parameters

• Common name: 24-Methyllanosta-7,25-dien-3-one
• Chemical name: 17-(5,6-Dimethylhept-6-en-2-yl)-4,4,10,13,14-pentamethyl- 1,5,6,10,11,12,13,15,16,17-decahydro-2<i>H</i>-cyclopenta[α]phenanthren- 3(4<i>H</i>,9<i>H</i>,14<i>H</i>)-one
• Formula: C31 H50 O
• Calculated formula: C31 H50 O
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CC=C1[C@@H]2CC[C@@]2([C@@]1(CC[C@H]2[C@@H](C)CC[C@@H](C(=C)C)C)C)C)C
• Title of publication: 24-Methyllanosta-7,25-dien-3-one
• Authors of publication: Hussain, Nisar; Habib-ur-Rehman; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o626
• a: 6.7207 ± 0.0001 Å
• b: 19.4804 ± 0.0005 Å
• c: 20.5035 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2684.36 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes