Information card for entry 4503994

Structure parameters

• Formula: C20 H14 F4 O4
• Calculated formula: C20 H14 F4 O4
• SMILES: c1(cc(cc(COC(=O)/C=C/C=C/C(=O)OCc2cc(cc(F)c2)F)c1)F)F
• Title of publication: Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals
• Authors of publication: Mori, Yutaka; Matsumoto, Akikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 377
• a: 3.9694 ± 0.0012 Å
• b: 10.829 ± 0.003 Å
• c: 10.846 ± 0.003 Å
• α: 74.13 ± 0.02°
• β: 81.53 ± 0.02°
• γ: 87.59 ± 0.03°
• Cell volume: 443.5 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No