Information card for entry 2213361

Structure parameters

• Chemical name: 3,5-Bis[(dimethylamino)methyl]-1-nitro-4-(trimethylsilyl)benzene
• Formula: C15 H27 N3 O2 Si
• Calculated formula: C15 H27 N3 O2 Si
• SMILES: [Si](c1c(cc(N(=O)=O)cc1CN(C)C)CN(C)C)(C)(C)C
• Title of publication: 3,5-Bis[(dimethylamino)methyl]-1-nitro-4-(trimethylsilyl)benzene
• Authors of publication: Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.; Slagt, Martijn Q.; Koten, Gerard van
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2588 - o2589
• a: 14.2353 ± 0.0002 Å
• b: 16.1402 ± 0.0002 Å
• c: 17.1387 ± 0.0003 Å
• α: 75.0826 ± 0.0007°
• β: 73.694 ± 0.0008°
• γ: 73.5679 ± 0.0009°
• Cell volume: 3556.62 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes