Information card for entry 2236862

Structure parameters

• Common name: 1,1'-[2,4-Bis(3-nitrophenyl)cyclobutane-1,3-diyl]diphenylmethanone
• Chemical name: [3-Benzoyl-2,4-bis(3-nitrophenyl)cyclobutyl](phenyl)methanone
• Formula: C30 H22 N2 O6
• Calculated formula: C30 H22 N2 O6
• SMILES: C(=O)(C1C(c2cc(N(=O)=O)ccc2)C(C(=O)c2ccccc2)C1c1cc(N(=O)=O)ccc1)c1ccccc1
• Title of publication: [3-Benzoyl-2,4-bis(3-nitrophenyl)cyclobutyl](phenyl)methanone
• Authors of publication: Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3272 - o3273
• a: 5.785 ± 0.0001 Å
• b: 14.7824 ± 0.0003 Å
• c: 14.3589 ± 0.0003 Å
• α: 90°
• β: 104.858 ± 0.001°
• γ: 90°
• Cell volume: 1186.86 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes