Information card for entry 4022555

Structure parameters

• Chemical name: Ethyl 3-(4-methylphenyl)-1-oxo-1H-indene-2-carboxylate
• Formula: C19 H16 O3
• Calculated formula: C19 H16 O3
• SMILES: O(C(=O)C1=C(c2c(C1=O)cccc2)c1ccc(C)cc1)CC
• Title of publication: Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior
• Authors of publication: Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 9473 - 9476
• a: 8.903 ± 0.001 Å
• b: 8.993 ± 0.001 Å
• c: 10.927 ± 0.001 Å
• α: 110.05 ± 0.01°
• β: 95.09 ± 0.01°
• γ: 109.17°
• Cell volume: 756.03 ± 0.14 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: 0.0517
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No