Information card for entry 4069559

Structure parameters

• Common name: 9d
• Chemical name: Chlorodimethyl[N-(isopropylideneimino)phenylacetamidomethyl]silane
• Formula: C14 H21 Cl N2 O Si
• Calculated formula: C14 H21 Cl N2 O Si
• SMILES: Cl[Si]1([O]=C(N(N=C(C)C)C1)Cc1ccccc1)(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: 9.111 ± 0.004 Å
• b: 10.417 ± 0.004 Å
• c: 10.811 ± 0.004 Å
• α: 99.269 ± 0.008°
• β: 109.036 ± 0.006°
• γ: 115.209 ± 0.007°
• Cell volume: 821.8 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No