Information card for entry 1520394

Structure parameters

• Formula: C13 H17 Cl N2 O3 Si
• Calculated formula: C13 H17 Cl N2 O3 Si
• SMILES: c1cccc2n1C[Si]1(Cn3ccccc3=[O]1)(C)[O]=2.[Cl-].O
• Title of publication: C13H17ClN2O3Si
• 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: 659
• a: 8.8936 ± 0.0002 Å
• b: 22.0632 ± 0.0006 Å
• c: 7.8946 ± 0.0002 Å
• α: 90°
• β: 106.318 ± 0.001°
• γ: 90°
• Cell volume: 1486.69 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No