Information card for entry 4131417

Structure parameters

• Formula: C37 H63 N3 O3 Si5
• Calculated formula: C37 H63 N3 O3 Si5
• SMILES: [Si]1([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(OC(=O)O1)N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.
• Authors of publication: Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 24
• Pages of publication: 8134 - 8137
• a: 10.2747 ± 0.0004 Å
• b: 18.4172 ± 0.0008 Å
• c: 23.9282 ± 0.001 Å
• α: 90°
• β: 101.484 ± 0.001°
• γ: 90°
• Cell volume: 4437.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No