Information card for entry 2206907

Structure parameters

• Common name: 4,7-Dimethoxy-indan-2,2-dicarboxylic acid diethyl ester
• Chemical name: 4,7-Dimethoxy-indan-2,2-dicarboxylic acid diethyl ester
• Formula: C17 H22 O6
• Calculated formula: C17 H22 O6
• SMILES: O(C(=O)C1(Cc2c(C1)c(OC)ccc2OC)C(=O)OCC)CC
• Title of publication: Diethyl 4,7-dimethoxyindan-2,2-dicarboxylate
• Authors of publication: Peter Hammershøj; Jørn B. Christensen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3468 - o3469
• a: 16.569 ± 0.001 Å
• b: 8.033 ± 0.001 Å
• c: 24.643 ± 0.003 Å
• α: 90°
• β: 90.232 ± 0.007°
• γ: 90°
• Cell volume: 3279.9 ± 0.6 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 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: 0.1238
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes