Information card for entry 4110742

Structure parameters

• Formula: C22 H23 Cl O
• Calculated formula: C22 H23 Cl O
• SMILES: Clc1ccc([C@H]2[C@H]([C@@H]2C(=O)C(C)(C)C)/C=C/c2ccccc2)cc1
• Title of publication: Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation
• Authors of publication: Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9730 - 9740
• a: 5.7455 ± 0.0009 Å
• b: 16.488 ± 0.003 Å
• c: 20.354 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1928.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No