Information card for entry 1519590

Structure parameters

• Formula: C20 H20 Br N O2 Si
• Calculated formula: C20 H20 Br N O2 Si
• SMILES: c1(cc(c(c2C(=O)c3ccccc3C(c12)(C#C[Si](C)(C)C)O)N)C)Br
• Title of publication: C20H20BrNO2Si
• Authors of publication: Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 923
• a: 6.7406 ± 0.0014 Å
• b: 11.794 ± 0.0019 Å
• c: 11.945 ± 0.003 Å
• α: 87.687 ± 0.017°
• β: 86.67 ± 0.02°
• γ: 81.403 ± 0.018°
• Cell volume: 936.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No