Information card for entry 4069560

Structure parameters

• Common name: 10i
• Chemical name: [N-Benzimidato(cycloheptylideneammoniummethyl)-O,C]chlorodimethylsilicate
• Formula: C17 H25 Cl N2 O Si
• Calculated formula: C17 H25 Cl N2 O Si
• SMILES: [Si]1(Cl)(OC(=N[N+](C1)=C1CCCCCC1)c1ccccc1)(C)C
• Title of publication: Regioselective Intramolecular Chloride Displacement Leading to Five- or Six-Membered Chelate-Ring Closure and Pentacoordinate Silicon Complexes: A Facile Wawzonek Rearrangement†
• Authors of publication: Yakubovich, Shiri; Gostevskii, Boris; Kalikhman, Inna; Kost, Daniel
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 4126
• a: 9.372 ± 0.003 Å
• b: 9.856 ± 0.003 Å
• c: 19.824 ± 0.006 Å
• α: 90°
• β: 103.43 ± 0.005°
• γ: 90°
• Cell volume: 1781.1 ± 1 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: 0.0624
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No