Information card for entry 2209687

Structure parameters

• Chemical name: 2,4-Bis(2-bromophenyl)-1,3-bis(3-nitrobenzoyl)cyclobutane
• Formula: C30 H20 Br2 N2 O6
• Calculated formula: C30 H20 Br2 N2 O6
• SMILES: c1(cc(ccc1)N(=O)=O)C(=O)C1C(c2c(Br)cccc2)C(C(=O)c2cc(ccc2)N(=O)=O)C1c1c(Br)cccc1
• Title of publication: 2,4-Bis(2-bromophenyl)-1,3-bis(3-nitrobenzoyl)cyclobutane
• Authors of publication: Qiu, Xiao-Yang; Zhang, Ying; Liu, Wei-Sheng; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2675 - o2676
• a: 7.3293 ± 0.0015 Å
• b: 15.793 ± 0.003 Å
• c: 11.571 ± 0.002 Å
• α: 90°
• β: 97.8 ± 0.03°
• γ: 90°
• Cell volume: 1327 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes