Information card for entry 4073520

Structure parameters

• Chemical name: [N-(o-Oxyphenyl)-benzoxazolin-2-on-1-yl-carboxamido](benzoxazolin-2-on-1-yl) phenylsilicon N-methylimidazole complex
• Formula: C31 H23 N5 O6 Si
• Calculated formula: C31 H23 N5 O6 Si
• SMILES: [Si]12([O]=C3Oc4ccccc4N3C(=O)N2c2ccccc2O1)(N1C(=O)Oc2ccccc12)([n]1cn(C)cc1)c1ccccc1
• Title of publication: Templated Rearrangement of Silylated Benzoxazolin-2-ones: A Novel Tridentate (ONO)2-Chelating Ligand System
• Authors of publication: Wagler, Jörg; Hill, Anthony F.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3630
• a: 9.8488 ± 0.0002 Å
• b: 12.2068 ± 0.0004 Å
• c: 12.657 ± 0.0003 Å
• α: 65.848 ± 0.001°
• β: 80.353 ± 0.002°
• γ: 74.744 ± 0.001°
• Cell volume: 1336.42 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No