Information card for entry 2242384

Structure parameters

• Chemical name: Dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate
• Formula: C26 H20 O5
• Calculated formula: C26 H20 O5
• SMILES: c1cccc2c1C(=O)C(C(=C2c1ccccc1)C(=O)OC)(c1ccccc1)C(=O)OC
• Title of publication: Crystal structure of dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate
• Authors of publication: Jagadeesan, Gajendran; Chandramalar, Immanuel Monica; Karunakaran, Jayachandran; Gopinath, Solaiappan; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 349 - 351
• a: 15.8021 ± 0.0008 Å
• b: 7.4706 ± 0.0004 Å
• c: 17.8599 ± 0.0009 Å
• α: 90°
• β: 96.581 ± 0.002°
• γ: 90°
• Cell volume: 2094.49 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1077
• 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