Information card for entry 2213748

Structure parameters

• Chemical name: <i>rac</i>-5-Chloromethyl-3-(3-chloro-2-methylphenyl)-2,2-diphenyloxazolidine
• Formula: C23 H21 Cl2 N O
• Calculated formula: C23 H21 Cl2 N O
• SMILES: ClCC1OC(N(C1)c1cccc(Cl)c1C)(c1ccccc1)c1ccccc1
• Title of publication: <i>rac</i>-5-Chloromethyl-3-(3-chloro-2-methylphenyl)-2,2-diphenyloxazolidine
• Authors of publication: Chuan-Ming Yu; Xiao-Ping Dai; Zhen-Yuan Xu; Guo-Wu Rao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2935 - o2935
• a: 25.3638 ± 0.0009 Å
• b: 7.1591 ± 0.0002 Å
• c: 22.1688 ± 0.0007 Å
• α: 90°
• β: 91.263 ± 0.001°
• γ: 90°
• Cell volume: 4024.5 ± 0.2 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes