Information card for entry 8102432

Structure parameters

• Formula: C10 H13 N O2 Si
• Calculated formula: C10 H13 N O2 Si
• SMILES: [Si](c1cccc2NC(=O)Oc12)(C)(C)C
• Title of publication: Crystal structure of 7-(trimethylsilyl)benz[d]-1,3-oxazolin-2-one, C10H13NO2Si
• Authors of publication: Michael Hummel; Klaus Wurst; Sven Nerdinger; Gerhard Laus; Herwig Schottenberger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 247
• a: 7.618 ± 0.0002 Å
• b: 20.288 ± 0.0007 Å
• c: 7.7621 ± 0.0003 Å
• α: 90°
• β: 113.476 ± 0.002°
• γ: 90°
• Cell volume: 1100.36 ± 0.07 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No