Information card for entry 4029709

Structure parameters

• Formula: C30 H45 N O4 S Si3
• Calculated formula: C30 H45 N O4 S Si3
• SMILES: S(=O)(=O)(N1[C@H]([C@]2(C[Si]([Si](C)(C)C)([Si](C)(C)C)C=C2C1)C(=O)OC(C)(C)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Preparation of optically active bicyclodihydrosiloles by a radical cascade reaction.
• Authors of publication: Miyazaki, Koichiro; Yamane, Yu; Yo, Ryuichiro; Uno, Hidemitsu; Kamimura, Akio
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2013
• Journal volume: 9
• Pages of publication: 1326 - 1332
• a: 6.471 ± 0.005 Å
• b: 12.191 ± 0.008 Å
• c: 43.2 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3408 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No