Information card for entry 5000375

Structure parameters

• Formula: C18 H19 Br O4
• Calculated formula: C18 H19 Br O4
• Authors of publication: Huffman, John C.
• a: 6.881 ± 0.005 Å
• b: 18.239 ± 0.019 Å
• c: 26.509 ± 0.028 Å
• α: 90°
• β: 95.362 ± 0.014°
• γ: 90°
• Cell volume: 3312.4 ± 5.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3458
• Residual factor for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections: 0.2858
• Weighted residual factors for significantly intense reflections: 0.211
• Goodness-of-fit parameter for all reflections: 0.988
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No