Information card for entry 1519890

Structure parameters

• Formula: C8 H12 Cl F N O2 Si
• Calculated formula: C9 H13 Cl F N O Si
• SMILES: [Si]1([O]=c2n(C1)c(ccc2)C)(CCl)(F)C
• Title of publication: C8H12ClFNO2Si
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Taylor, P. G.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 608
• a: 7.2306 ± 0.0005 Å
• b: 9.4023 ± 0.0008 Å
• c: 9.5351 ± 0.0008 Å
• α: 119.096 ± 0.004°
• β: 96.715 ± 0.005°
• γ: 98.833 ± 0.005°
• Cell volume: 545.76 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No