Information card for entry 2231815

Structure parameters

• Chemical name: 1,8-Bis-(4-methoxy-3-nitrophenyl)naphthalene
• Formula: C24 H18 N2 O6
• Calculated formula: C24 H18 N2 O6
• SMILES: c1(cccc2cccc(c12)c1cc(N(=O)=O)c(OC)cc1)c1cc(N(=O)=O)c(OC)cc1
• Title of publication: 1,8-Bis(4-methoxy-3-nitrophenyl)naphthalene
• Authors of publication: Prabhakaran, Panchami; Puranik, Vedavati G.; Sanjayan, Gangadhar J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2630
• a: 13.3038 ± 0.0009 Å
• b: 13.3038 ± 0.0009 Å
• c: 22.7868 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4033.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes