Information card for entry 1519577

Structure parameters

• Formula: C17 H29 Br N2 O
• Calculated formula: C17 H29 Br N2 O
• Title of publication: C17H29BrN2O
• Authors of publication: Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 950
• a: 8.6737 ± 0.0002 Å
• b: 22.2346 ± 0.0004 Å
• c: 9.8649 ± 0.0002 Å
• α: 90°
• β: 104.924 ± 0.001°
• γ: 90°
• Cell volume: 1838.33 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No