Information card for entry 2241131

Structure parameters

• Chemical name: 2-[(1<i>R</i>,2<i>R</i>,4a<i>S</i>,8a<i>S</i>)-2-Hydroxy-2,5,5,8a-\ tetramethyldecahydronaphthalen-1-yl]-<i>N</i>-(<i>o</i>-tolyl)acetamide
• Formula: C23 H35 N O2
• Calculated formula: C23 H35 N O2
• SMILES: O[C@]1([C@H](CC(=O)Nc2c(cccc2)C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C)C
• Title of publication: Crystal structure of 2-[(1<i>R</i>,2<i>R</i>,4a<i>S</i>,8a<i>S</i>)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-<i>N</i>-(<i>o</i>-tolyl)acetamide
• Authors of publication: Li, Dang-Dang; Shi, Xin-Wei; Lu, Qiang-Qiang; Li, Sheng-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o788 - o789
• a: 6.3001 ± 0.0005 Å
• b: 13.2663 ± 0.001 Å
• c: 12.7082 ± 0.001 Å
• α: 90°
• β: 96.983 ± 0.002°
• γ: 90°
• Cell volume: 1054.26 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes