Information card for entry 4105274

Structure parameters

• Formula: C18 H20 O
• Calculated formula: C18 H20 O
• SMILES: [C@H]1([C@H]([C@H]1c1ccccc1)c1c(cccc1C)C)CO
• Title of publication: In Situ Generation of Zinc Carbenoids from Diazo Compounds and Zinc Salts: Asymmetric Synthesis of 1,2,3-Substituted Cyclopropanes
• Authors of publication: Sébastien R. Goudreau; André B. Charette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15633 - 15635
• a: 7.3186 ± 0.0007 Å
• b: 22.46 ± 0.02 Å
• c: 13.2979 ± 0.0013 Å
• α: 90°
• β: 93.896 ± 0.005°
• γ: 90°
• Cell volume: 2181 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No