Information card for entry 2209838

Structure parameters

• Chemical name: 3-Nitro-1-(triisopropylsilyl)-1H-pyrrole
• Formula: C13 H24 N2 O2 Si
• Calculated formula: C13 H24 N2 O2 Si
• SMILES: [Si](n1cc(N(=O)=O)cc1)(C(C)C)(C(C)C)C(C)C
• Title of publication: 3-Nitro-1-(triisopropylsilyl)-1<i>H</i>-pyrrole
• Authors of publication: Alan R. Kennedy; Abedawn I. Khalaf; Colin J. Suckling; Roger D. Waigh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3282 - o3284
• a: 9.6924 ± 0.0005 Å
• b: 15.9437 ± 0.001 Å
• c: 10.1267 ± 0.0006 Å
• α: 90°
• β: 95.089 ± 0.004°
• γ: 90°
• Cell volume: 1558.74 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1414
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes