Information card for entry 2232446

Structure parameters

• Common name: Steroid
• Chemical name: 3α-Dimethylamino-20-(<i>N</i>-methylacetamido)pregn-5-ene
• Formula: C26 H44 N2 O
• Calculated formula: C26 H44 N2 O
• SMILES: O=C(N([C@@H]([C@H]1[C@@]2(CC[C@@H]3[C@H](CC=C4C[C@@H](N(C)C)CC[C@@]34C)[C@H]2CC1)C)C)C)C
• Title of publication: 3α-Dimethylamino-20-(<i>N</i>-methylacetamido)pregn-5-ene
• Authors of publication: Yousuf, S.; Musharraf, S. G.; Iqbal, N.; Adhikari, A.; Choudhary, M. I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2918
• a: 6.1649 ± 0.0005 Å
• b: 11.9489 ± 0.0009 Å
• c: 31.982 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2355.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes