Information card for entry 4504004

Structure parameters

• Formula: C20 H8 F10 O4
• Calculated formula: C20 H8 F10.02 O4
• 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: 9.626 ± 0.012 Å
• b: 5.409 ± 0.007 Å
• c: 18.84 ± 0.02 Å
• α: 90°
• β: 98.2 ± 0.11°
• γ: 90°
• Cell volume: 971 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1487
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.3204
• Weighted residual factors for all reflections included in the refinement: 0.3539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No