Information card for entry 7119705

Structure parameters

• Chemical name: 170109_s3_zzw
• Formula: C16 H25 Br O2 Si
• Calculated formula: C16 H25 Br O2 Si
• SMILES: Brc1ccc(cc1)[C@@H](O)[C@H](/C=C([Si](C)(C)C)/CCO)C
• Title of publication: Chiral crotyl geminal bis(silane): a useful reagent for asymmetric Sakurai allylation by selective desilylation-enabled chirality transfer.
• Authors of publication: Chu, Zhiwen; Wang, Kai; Gao, Lu; Song, Zhenlei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 3078 - 3081
• a: 8.1374 ± 0.0005 Å
• b: 14.262 ± 0.0009 Å
• c: 16.0081 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1857.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1189
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No