Information card for entry 4022554

Structure parameters

• Chemical name: Ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)-1H-indene-2-carboxylate
• Formula: C20 H20 O3
• Calculated formula: C20 H20 O3
• 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: 5.805 ± 0.001 Å
• b: 10.231 ± 0.001 Å
• c: 15.015 ± 0.001 Å
• α: 76.63°
• β: 84.39 ± 0.01°
• γ: 77.47 ± 0.01°
• Cell volume: 845.86 ± 0.18 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: 0.06
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No