Information card for entry 2226456

Structure parameters

• Chemical name: (1<i>R</i>*,2<i>R</i>*)-1-(4-Chlorophenyl)-4-dimethylamino- 1-(3-methoxy-2-naphthyl)-2-(1-naphthyl)butan-2-ol
• Formula: C33 H32 Cl N O2
• Calculated formula: C33 H32 Cl N O2
• SMILES: Clc1ccc([C@H](c2c(OC)cc3ccccc3c2)[C@@](O)(c2c3ccccc3ccc2)CCN(C)C)cc1.Clc1ccc([C@@H](c2c(OC)cc3ccccc3c2)[C@](O)(c2c3ccccc3ccc2)CCN(C)C)cc1
• Title of publication: (1<i>R</i>*,2<i>R</i>*)-1-(4-Chlorophenyl)-4-dimethylamino-1-(3-methoxy-2-naphthyl)-2-(1-naphthyl)butan-2-ol
• Authors of publication: Liu, Ping; Xiao, Junhai; Zhong, Wu; Li, Song; Yang, Xiaohong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1571
• a: 18.712 ± 0.005 Å
• b: 9.135 ± 0.002 Å
• c: 16.369 ± 0.004 Å
• α: 90°
• β: 111.991 ± 0.004°
• γ: 90°
• Cell volume: 2594.4 ± 1.1 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes