Information card for entry 2241480

Structure parameters

• Chemical name: 2-Bromo-3-dimethylamino-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide
• Formula: C15 H33 Br2 N3 O Si
• Calculated formula: C15 H33 Br2 N3 O Si
• SMILES: [Br-].BrC(=C(N(C)C)\C(C)(C)O[Si](C)(C)C)\C(=[N+](C)C)N(C)C
• Title of publication: Crystal structure of 2-bromo-3-dimethylamino-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide
• Authors of publication: Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1061 - o1062
• a: 13.3524 ± 0.0005 Å
• b: 11.3802 ± 0.0003 Å
• c: 27.4261 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4167.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No