Information card for entry 2233156

Structure parameters

• Chemical name: [2-(4-Chlorophenyl)-5-phenyloxolan-3-yl](cyclopentenyl)methanone
• Formula: C22 H21 Cl O2
• Calculated formula: C22 H21 Cl O2
• SMILES: Clc1ccc([C@H]2O[C@H](C[C@H]2C(=O)C2=CCCC2)c2ccccc2)cc1.Clc1ccc([C@@H]2O[C@@H](C[C@@H]2C(=O)C2=CCCC2)c2ccccc2)cc1
• Title of publication: [2-(4-Chlorophenyl)-5-phenyloxolan-3-yl](cyclopentenyl)methanone
• Authors of publication: Lee, Jae Kyun; Chavre, Satish N.; Cho, Yong Seo; Lee, Yeonhee; Cha, Joo Hwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o45
• a: 5.7575 ± 0.0006 Å
• b: 11.3547 ± 0.0012 Å
• c: 28.554 ± 0.003 Å
• α: 90°
• β: 94.442 ± 0.008°
• γ: 90°
• Cell volume: 1861.1 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes