Information card for entry 4503993

Structure parameters

• Formula: C20 H14 F4 O4
• Calculated formula: C20 H14 F4 O4
• SMILES: C(c1c(cccc1F)F)OC(=O)/C=C/C=C/C(=O)OCc1c(cccc1F)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: 19.165 ± 0.003 Å
• b: 8.2749 ± 0.0013 Å
• c: 5.4329 ± 0.0008 Å
• α: 90°
• β: 98.82°
• γ: 90°
• Cell volume: 851.4 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No