Information card for entry 4072353

Structure parameters

• Formula: C10 H13 N O2 Si
• Calculated formula: C10 H13 N O2 Si
• SMILES: [Si](N1C(=O)Oc2ccccc12)(C)(C)C
• Title of publication: Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands
• Authors of publication: Wagler, Jörg; Hill, Anthony F.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6579
• a: 12.1828 ± 0.0002 Å
• b: 9.7269 ± 0.0002 Å
• c: 18.0635 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2140.54 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No