Information card for entry 2212069

Structure parameters

• Chemical name: {(1R,3S)-3-[(Dimethylamino)methyl]-2,2-dimethylcyclopropyl}diphenylmethanol
• Formula: C21 H27 N O
• Calculated formula: C21 H27 N O
• SMILES: OC([C@@H]1[C@H](CN(C)C)C1(C)C)(c1ccccc1)c1ccccc1
• Title of publication: {(1<i>R</i>,3S)-3-[(Dimethylamino)methyl]-2,2-dimethylcyclopropyl}diphenylmethanol
• Authors of publication: Zhong, Jiang-Chun; Wang, Min-Gan; Wang, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1058 - o1059
• a: 6.2697 ± 0.0013 Å
• b: 16.168 ± 0.003 Å
• c: 18.26 ± 0.004 Å
• α: 90°
• β: 94.6 ± 0.03°
• γ: 90°
• Cell volume: 1845 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes