Information card for entry 8101963

Structure parameters

• Chemical name: N,N'-bis(4-nitrophenyl)-1,4-naphthalenedicarboxamide bis(dimethylsulfoxide) solvate
• Formula: C28 H28 N4 O8 S2
• Calculated formula: C28 H28 N4 O8 S2
• SMILES: S(=O)(C)C.S(=O)(C)C.O=C(Nc1ccc(N(=O)=O)cc1)c1ccc(c2ccccc12)C(=O)Nc1ccc(N(=O)=O)cc1
• Title of publication: Crystal structure of N,N'-bis(4-nitrophenyl)-1,4-naphthalene-dicarboxamide bis(dimethylsulfoxide) solvate, C~24~H~16~N~4~O~6~ · 2C~2~H~6~OS
• Authors of publication: Jing, L.-H.; Qin, D.-B.; Gu, S.-J.; Zhang, H.-X.; Mao, Z.-H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 200 - 202
• a: 23.82 ± 0.005 Å
• b: 9.166 ± 0.003 Å
• c: 26.778 ± 0.006 Å
• α: 90°
• β: 95.579 ± 0.017°
• γ: 90°
• Cell volume: 5819 ± 3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2653
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No