Information card for entry 2224539

Structure parameters

• Chemical name: Cholest-5-en-3β-yl <i>N</i>-phenylcarbamate
• Formula: C34 H51 N O2
• Calculated formula: C34 H51 N O2
• SMILES: CC(CCC[C@@H]([C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@@]1(C)CC[C@H](C2)OC(=O)Nc1ccccc1)C)C
• Title of publication: Cholest-5-en-3β-yl <i>N</i>-phenylcarbamate
• Authors of publication: Graia, Mohsen; Raza Murad, Ghalib; Krimi Ammar, Mehrzia; Mehdi, Sayed Hasan; Hashim, Rokiah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3231
• a: 6.33 ± 0.005 Å
• b: 10.419 ± 0.005 Å
• c: 12.028 ± 0.005 Å
• α: 82.922 ± 0.005°
• β: 89.137 ± 0.005°
• γ: 73.141 ± 0.005°
• Cell volume: 753.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes