Information card for entry 3000165

Structure parameters

• Formula: C9 H10 Br N O2
• Title of publication: ?
• Authors of publication: Roszak; Katrusiak, Andrzej
• Journal of publication: To be published
• a: 7.348 ± 0.0002 Å
• b: 7.6 ± 0.0002 Å
• c: 10.0689 ± 0.0003 Å
• α: 110.318 ± 0.002°
• β: 110.679 ± 0.002°
• γ: 92.541 ± 0.002°
• Cell volume: 484.32 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No