Information card for entry 2214140

Structure parameters

• Chemical name: 1,2-Bis(4-nitrobenzoyl)-3,4-bis(4-nitrophenyl)cyclobutane
• Formula: C30 H20 N4 O10
• Calculated formula: C30 H20 N4 O10
• SMILES: [C@H]1([C@@H]([C@H]([C@H]1C(=O)c1ccc(cc1)N(=O)=O)C(=O)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O.[C@@H]1([C@H]([C@@H]([C@@H]1C(=O)c1ccc(cc1)N(=O)=O)C(=O)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O
• Title of publication: 1,2-Bis(4-nitrobenzoyl)-3,4-bis(4-nitrophenyl)cyclobutane
• Authors of publication: Xiong, Ren-Gen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3265 - o3265
• a: 17.1005 ± 0.0011 Å
• b: 10.6509 ± 0.0006 Å
• c: 15.0484 ± 0.0009 Å
• α: 90°
• β: 98.163 ± 0.0011°
• γ: 90°
• Cell volume: 2713.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0861
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes