Information card for entry 2225241

Structure parameters

• Chemical name: 2,7-Dimethoxy-1-(4-nitrobenzoyl)-naphthalene
• Formula: C19 H15 N O5
• Calculated formula: C19 H15 N O5
• SMILES: O=C(c1c(OC)ccc2ccc(OC)cc12)c1ccc(N(=O)=O)cc1
• Title of publication: 2,7-Dimethoxy-1-(4-nitrobenzoyl)-naphthalene
• Authors of publication: Watanabe, Shoji; Nakaema, Kosuke; Nishijima, Takahiro; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o615
• a: 8.6877 ± 0.0006 Å
• b: 28.87 ± 0.002 Å
• c: 6.4635 ± 0.0005 Å
• α: 90°
• β: 90.839 ± 0.005°
• γ: 90°
• Cell volume: 1621 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0376
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes