Information card for entry 2227968

Structure parameters

• Common name: 1,8-Bis(4-aminobenzoyl)-2,7-dimethoxynaphthalene
• Chemical name: [8-(4-aminobenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-aminophenyl)methanone
• Formula: C26 H22 N2 O4
• Calculated formula: C26 H22 N2 O4
• SMILES: COc1ccc2c(c1C(=O)c1ccc(cc1)N)c(c(cc2)OC)C(=O)c1ccc(cc1)N
• Title of publication: 1,8-Bis(4-aminobenzoyl)-2,7-dimethoxynaphthalene
• Authors of publication: Nishijima, Takahiro; Kataoka, Kotaro; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2904 - o2905
• a: 14.2996 ± 0.0003 Å
• b: 10.2811 ± 0.0002 Å
• c: 15.4306 ± 0.0003 Å
• α: 90°
• β: 114.523 ± 0.001°
• γ: 90°
• Cell volume: 2063.9 ± 0.07 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: 0.0462
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes