Information card for entry 2200742

Structure parameters

• Common name: 3-(2'-Bromophenyl)-4-(tri-iso-propylsilyl)-sydnone
• Chemical name: 3-(2-Bromophenyl)-4-(triisopropylsilyl)sydnone
• Formula: C17 H25 Br N2 O2 Si
• Calculated formula: C17 H25 Br N2 O2 Si
• SMILES: Brc1c(N2=NOC(=O)C=2[Si](C(C)C)(C(C)C)C(C)C)cccc1
• Title of publication: 3-(2-Bromophenyl)-4-(triisopropylsilyl)sydnone
• Authors of publication: Grossie, David A.; Turnbull, Kenneth; Krein, Douglas M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o985 - o987
• a: 11.756 ± 0.0018 Å
• b: 12.772 ± 0.002 Å
• c: 12.8527 ± 0.0018 Å
• α: 90°
• β: 91.82 ± 0.012°
• γ: 90°
• Cell volume: 1928.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.755
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes