Information card for entry 4121724

Structure parameters

• Formula: C26 H44 B2 Fe O6 Si2
• Calculated formula: C26 H44 B2 Fe O6 Si2
• SMILES: B1(O[Si]([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]9[cH]8[cH]7[cH]23)[Si](C)(C)OB2OC(C(O2)(C)C)(C)C)(C)C)OC(C(O1)(C)C)(C)C
• Title of publication: Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.
• Authors of publication: Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 17
• Pages of publication: 6183 - 6186
• a: 10.523 ± 0.005 Å
• b: 11.722 ± 0.005 Å
• c: 12.562 ± 0.006 Å
• α: 90°
• β: 94.948 ± 0.005°
• γ: 90°
• Cell volume: 1543.8 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No