Information card for entry 1519352

Structure parameters

• Formula: C19 H26 Br N
• Calculated formula: C19 H26 Br N
• SMILES: [Br-].[NH2+](CCCCCCc1ccccc1)Cc1ccccc1
• Title of publication: C19H26NBr
• Authors of publication: Hii, Mimi K. K.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 1015
• a: 5.1549 ± 0.0002 Å
• b: 31.1802 ± 0.0012 Å
• c: 5.4853 ± 0.0003 Å
• α: 90°
• β: 90.609 ± 0.002°
• γ: 90°
• Cell volume: 881.61 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No