Information card for entry 2236868

Structure parameters

• Chemical name: 3β-Chloro-<i>N</i>-methoxy-<i>N</i>-methylcholest-5-ene-24-carboxamide
• Formula: C26 H42 Cl N O2
• Calculated formula: C26 H42 Cl N O2
• SMILES: [C@@H]1(CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@H](C)CCC(=O)N(C)OC)C)C1)C)Cl
• Title of publication: 3β-Chloro-<i>N</i>-methoxy-<i>N</i>-methylcholest-5-ene-24-carboxamide
• Authors of publication: González, Karilys; Nieves, Karinel; Rodríguez, Abimael D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3471
• a: 7.5263 ± 0.0002 Å
• b: 16.2157 ± 0.0004 Å
• c: 20.885 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2548.89 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1123
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes