Information card for entry 4114973

Structure parameters

• Formula: C20 H18 O4
• Calculated formula: C20 H18 O4
• SMILES: C(=C\C=C/C(=O)OCc1ccccc1)\C(=O)OCc1ccccc1
• Title of publication: Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions
• Authors of publication: Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8891 - 8902
• a: 8.571 ± 0.005 Å
• b: 10.465 ± 0.005 Å
• c: 9.368 ± 0.004 Å
• α: 90 ± 0°
• β: 97.075 ± 0.02°
• γ: 90 ± 0°
• Cell volume: 833.9 ± 0.7 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1106
• Goodness-of-fit parameter for significantly intense reflections: 2.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: xray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No