Information card for entry 1555696

Structure parameters

• Formula: C21 H25 Br O2 Si
• Calculated formula: C21 H25 Br O2 Si
• SMILES: Brc1ccc([C@]2([C@]([Si](C)(C)C)(C2)c2ccccc2)C(=O)OCC)cc1
• Title of publication: Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.
• Authors of publication: Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4356 - 4359
• a: 8.9734 ± 0.0005 Å
• b: 9.5887 ± 0.0008 Å
• c: 24.3831 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2098 ± 0.3 ų
• Cell temperature: 294.29 ± 0.1 K
• Ambient diffraction temperature: 294.29 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No