Information card for entry 2202688

Structure parameters

• Formula: C15 H24 Br N
• Calculated formula: C15 H24 Br N
• SMILES: [Br-].[NH+](=C(\C)C)/c1c(cccc1C(C)C)C(C)C
• Title of publication: 2-[(2,6-Diisopropylphenyl)iminio]propyl bromide
• Authors of publication: Zhang, Fan; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1181 - o1182
• a: 13.0623 ± 0.0009 Å
• b: 10.9266 ± 0.0005 Å
• c: 11.6561 ± 0.0008 Å
• α: 90°
• β: 111.958 ± 0.005°
• γ: 90°
• Cell volume: 1542.95 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes