Information card for entry 4105244

Structure parameters

• Formula: C16 H15 Cl O
• Calculated formula: C16 H15 Cl O
• SMILES: Clc1ccc([C@@H]2[C@H]([C@H]2c2ccccc2)CO)cc1
• Title of publication: Enantioselective Synthesis of 1,2,3-Trisubstituted Cyclopropanes Usinggem-Dizinc Reagents
• Authors of publication: Lucie E. Zimmer; André B. Charette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15624 - 15626
• a: 14.0829 ± 0.0003 Å
• b: 14.0829 ± 0.0003 Å
• c: 5.9129 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1015.58 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No