Information card for entry 4504006

Structure parameters

• Formula: C20 H16 N2 O8
• Calculated formula: C20 H16 N2 O8
• SMILES: C(=O)(/C=C\C=C/C(=O)OCc1ccc(cc1)N(=O)=O)OCc1ccc(cc1)N(=O)=O
• 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: 5.7995 ± 0.0001 Å
• b: 5.2393 ± 0.0001 Å
• c: 31.193 ± 0.0002 Å
• α: 90°
• β: 91.172 ± 0.001°
• γ: 90°
• Cell volume: 947.61 ± 0.03 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No