Information card for entry 2007340

Structure parameters

• Common name: FULGID-4
• Chemical name: ethyl 3,3-dimethyl-2-(3-phenyl-1-indenone-2-yl)acrylate
• Formula: C22 H20 O3
• Calculated formula: C22 H20 O3
• SMILES: C1(=C(c2c(C1=O)cccc2)c1ccccc1)C(=C(C)/C)/C(=O)OCC
• Title of publication: Ethyl 3,3-Dimethyl-2-(1-oxo-3-phenylinden-2-yl)acrylate
• Authors of publication: Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 849 - 851
• a: 7.393 ± 0.002 Å
• b: 13.069 ± 0.004 Å
• c: 17.855 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1725.1 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.171
• Weighted residual factors for significantly intense reflections: 0.149
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No