Information card for entry 2234536

Structure parameters

• Chemical name: Methyl (2<i>E</i>)-2-({2-[(2<i>E</i>)-2-benzylidene-3-methoxy-3-oxopropyl]-1,3-\ dioxoindan-2-yl}methyl)-3-phenylprop-2-enoate
• Formula: C31 H26 O6
• Calculated formula: C31 H26 O6
• SMILES: C1(C(=O)c2ccccc2C1=O)(C/C(=C\c1ccccc1)C(=O)OC)CC(=C\c1ccccc1)/C(=O)OC
• Title of publication: Methyl (2<i>E</i>)-2-({2-[(2<i>E</i>)-2-benzylidene-3-methoxy-3-oxopropyl]-1,3-dioxoindan-2-yl}methyl)-3-phenylprop-2-enoate
• Authors of publication: Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1563 - o1564
• a: 10.5657 ± 0.0004 Å
• b: 10.9275 ± 0.0005 Å
• c: 11.8961 ± 0.0005 Å
• α: 71.25 ± 0.002°
• β: 77.889 ± 0.003°
• γ: 76.656 ± 0.002°
• Cell volume: 1251.7 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes