Information card for entry 1520370

Structure parameters

• Formula: C9 H9 Cl3 F3 N O Si
• Calculated formula: C9 H9 Cl3 F3 N O Si
• SMILES: Cl[Si]1([O]=c2n(C1)cc(cc2Cl)C(F)(F)F)(CCl)C
• Title of publication: C9H9Cl3F3NOSi
• 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: 699
• a: 9.0871 ± 0.0003 Å
• b: 7.3467 ± 0.0002 Å
• c: 21.0204 ± 0.0006 Å
• α: 90°
• β: 101.787 ± 0.001°
• γ: 90°
• Cell volume: 1373.74 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.1116
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No