Information card for entry 1551150

Structure parameters

• Formula: C41 H71 F3 N2 O3 S Si5
• Calculated formula: C41 H71 F3 N2 O3 S Si5
• SMILES: C1(=C[Si](OS(=O)(=O)C(F)(F)F)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)N(C(=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
• Authors of publication: Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 20.6562 ± 0.0005 Å
• b: 13.3097 ± 0.0003 Å
• c: 19.844 ± 0.0005 Å
• α: 90°
• β: 109.658 ± 0.0009°
• γ: 90°
• Cell volume: 5137.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No