Information card for entry 2242013

Structure parameters

• Chemical name: Dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate
• Formula: C28 H24 O6
• Calculated formula: C28 H24 O6
• SMILES: c12ccccc1C(=O)C(C(=C2c1ccc(cc1)OC)C(=O)OC)(C(=O)OC)c1ccc(cc1)C
• Title of publication: Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate
• Authors of publication: Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 177 - 182
• a: 7.5256 ± 0.0002 Å
• b: 10.2095 ± 0.0003 Å
• c: 15.6299 ± 0.0004 Å
• α: 93.99 ± 0.001°
• β: 94.679 ± 0.001°
• γ: 101.089 ± 0.002°
• Cell volume: 1170.07 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0499
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes