Information card for entry 2207354

Structure parameters

• Chemical name: 2-(Dibromomethyl)chromen-4-one
• Formula: C10 H6 Br2 O2
• Calculated formula: C10 H6 Br2 O2
• SMILES: BrC(Br)c1cc(=O)c2c(cccc2)o1
• Title of publication: 2-(Dibromomethyl)-4<i>H</i>-chromen-4-one
• Authors of publication: Huang, Wei; Zhao, Pei-Liang; Xie, Chang; Zhou, Zhong-Zhen; Yang, Guang-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3948 - o3949
• a: 8.2343 ± 0.0014 Å
• b: 10.3445 ± 0.0018 Å
• c: 12.047 ± 0.002 Å
• α: 90°
• β: 96.884 ± 0.003°
• γ: 90°
• Cell volume: 1018.8 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes