Information card for entry 2209301

Structure parameters

• Chemical name: N^2^-(2,6-Dibromo-4-nitrophenyl)-N^1^,N^1^-diethyl-2- (triisopropylsilyl)ethanamidine
• Formula: C21 H35 Br2 N3 O2 Si
• Calculated formula: C21 H35 Br2 N3 O2 Si
• SMILES: Brc1c(c(Br)cc(N(=O)=O)c1)\N=C(N(CC)CC)/C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: <i>N</i>^2^-(2,6-Dibromo-4-nitrophenyl)-<i>N</i>^1^,<i>N</i>^1^-diethyl-2-(triisopropylsilyl)ethanamidine
• Authors of publication: Constable, Edwin C.; Gusmeroli, D.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2297 - o2299
• a: 9.5058 ± 0.0002 Å
• b: 10.518 ± 0.0002 Å
• c: 12.7195 ± 0.0002 Å
• α: 84.5138 ± 0.0009°
• β: 88.4554 ± 0.0008°
• γ: 78.6724 ± 0.0008°
• Cell volume: 1241.19 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0368
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes