Information card for entry 2208143

Structure parameters

• Chemical name: [3-(4-chlorophenyl)oxiran-2-yl](5-naphthyl)methanone
• Formula: C19 H13 Cl O2
• Calculated formula: C19 H13 Cl O2
• SMILES: Clc1ccc([C@@H]2O[C@H]2C(=O)c2ccc3ccccc3c2)cc1
• Title of publication: An asymmetric epoxidate: [3-(4-chlorophenyl)oxiran-2-yl](5-naphthyl)methanone
• Authors of publication: Li-Ping Zhang; Jian Lv; Yong-Mei Wang; Yang Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o729 - o730
• a: 6.0842 ± 0.0013 Å
• b: 8.3402 ± 0.0018 Å
• c: 14.593 ± 0.003 Å
• α: 90°
• β: 96.849 ± 0.004°
• γ: 90°
• Cell volume: 735.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No