Information card for entry 2239923

Structure parameters

• Chemical name: 2,7-Diethoxy-1,8-bis(4-nitrobenzoyl)naphthalene
• Formula: C28 H22 N2 O8
• Calculated formula: C28 H22 N2 O8
• SMILES: c1(c(ccc2c1c(c(cc2)OCC)C(=O)c1ccc(N(=O)=O)cc1)OCC)C(=O)c1ccc(N(=O)=O)cc1
• Title of publication: Crystal structure of 2,7-diethoxy-1,8-bis(4-nitrobenzoyl)naphthalene
• Authors of publication: Mohri, Saki; Ohisa, Shinji; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: 138 - 141
• a: 23.5359 ± 0.0016 Å
• b: 10.2522 ± 0.0005 Å
• c: 10.3605 ± 0.0011 Å
• α: 90°
• β: 97.257 ± 0.014°
• γ: 90°
• Cell volume: 2479.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes