Information card for entry 1520419

Structure parameters

• Formula: C13 H15 Cl N2 O2 Si
• Calculated formula: C13 H15 Cl N2 O2 Si
• SMILES: c1(=O)ccccn1C1n2ccccc2=[O][Si]1(C)(C)Cl
• Title of publication: C13H15ClN2O2Si
• Authors of publication: Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 651
• a: 11.8719 ± 0.0003 Å
• b: 15.0801 ± 0.0003 Å
• c: 15.5429 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2782.64 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No