Information card for entry 7155063

Structure parameters

• Chemical name: 2,3-dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl) -1-oxo-1,2-dihydronapthalene-2,3-dicarboxylate
• Formula: C28 H24 O6
• Calculated formula: C28 H24 O6
• SMILES: c12ccccc1C(=O)C(C(=C2c1ccc(cc1)OC)C(=O)OC)(c1ccc(cc1)C)C(=O)OC
• Title of publication: Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.
• Authors of publication: Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4247 - 4259
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No