Information card for entry 4072355

Structure parameters

• Formula: C16 H14 N2 O4 Si
• Calculated formula: C16 H14 N2 O4 Si
• SMILES: [Si](N1C(=O)Oc2c1cccc2)(N1C(=O)Oc2c1cccc2)(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: 7.3257 ± 0.0002 Å
• b: 13.6736 ± 0.0004 Å
• c: 14.8738 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1489.89 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No