Information card for entry 4072358

Structure parameters

• Formula: C17 H18 N2 O4 Si
• Calculated formula: C17 H18 N2 O4 Si
• SMILES: [Si](Oc1c(NC(=O)N2C(=O)Oc3ccccc23)cccc1)(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: 23.1498 ± 0.0007 Å
• b: 6.4984 ± 0.0002 Å
• c: 24.0295 ± 0.0007 Å
• α: 90°
• β: 114.71 ± 0.001°
• γ: 90°
• Cell volume: 3283.92 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1105
• 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