Information card for entry 4504010

Structure parameters

• Formula: C20 H14 F4 O4
• Calculated formula: C20 H14 F4 O4
• Title of publication: Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters
• Authors of publication: Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1078
• a: 4.716 ± 0.003 Å
• b: 11.213 ± 0.008 Å
• c: 17.13 ± 0.014 Å
• α: 90°
• β: 91.32 ± 0.06°
• γ: 90°
• Cell volume: 905.6 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No