Information card for entry 2227954

Structure parameters

• Common name: 1-(3-nitrobenzoyl)-2,7-dimethoxynaphthalene
• Chemical name: (2,7-Dimethoxynaphthalen-1-yl)(3-nitrophenyl)methanone
• Formula: C19 H15 N O5
• Calculated formula: C19 H15 N O5
• SMILES: O=C(c1c(OC)ccc2ccc(OC)cc12)c1cc(N(=O)=O)ccc1
• Title of publication: (2,7-Dimethoxynaphthalen-1-yl)(3-nitrophenyl)methanone
• Authors of publication: Kataoka, Kotaro; Nishijima, Takahiro; 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: o2972
• a: 8.05658 ± 0.00018 Å
• b: 17.0634 ± 0.0004 Å
• c: 11.766 ± 0.0003 Å
• α: 90°
• β: 94.66 ± 0.001°
• γ: 90°
• Cell volume: 1612.16 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes