Information card for entry 2225293

Structure parameters

• Chemical name: Methyl 4-(2,7-dimethoxy-1-naphthoyl)benzoate
• Formula: C21 H18 O5
• Calculated formula: C21 H18 O5
• SMILES: O=C(c1c(OC)ccc2ccc(OC)cc12)c1ccc(cc1)C(=O)OC
• Title of publication: Methyl 4-(2,7-dimethoxy-1-naphthoyl)benzoate
• Authors of publication: Hijikata, Daichi; Nakaema, Kosuke; Watanabe, Shoji; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o554
• a: 7.7714 ± 0.0002 Å
• b: 9.5195 ± 0.0003 Å
• c: 12.2737 ± 0.0004 Å
• α: 97.525 ± 0.002°
• β: 97.919 ± 0.002°
• γ: 106.63 ± 0.002°
• Cell volume: 847.73 ± 0.05 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes