Information card for entry 2237692

Structure parameters

• Chemical name: Bis(1-benzoyl-7-methoxynaphthalen-2-yl) terephthalate
• Formula: C44 H30 O8
• Calculated formula: C44 H30 O8
• SMILES: COc1ccc2c(c1)c(c(cc2)OC(=O)c1ccc(cc1)C(=O)Oc1ccc2c(c1C(=O)c1ccccc1)cc(cc2)OC)C(=O)c1ccccc1
• Title of publication: Bis(1-benzoyl-7-methoxynaphthalen-2-yl) terephthalate
• Authors of publication: Sakamoto, Rei; Hijikata, Daichi; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o557
• a: 9.977 ± 0.005 Å
• b: 14.922 ± 0.007 Å
• c: 11.709 ± 0.006 Å
• α: 90°
• β: 106.61 ± 0.005°
• γ: 90°
• Cell volume: 1670.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes