Information card for entry 4114981

Structure parameters

• Formula: C20 H16 Cl2 O4
• Calculated formula: C20 H16 Cl2 O4
• 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: 8.458 ± 0.002 Å
• b: 13.544 ± 0.003 Å
• c: 4.0436 ± 0.0005 Å
• α: 93.971 ± 0.007°
• β: 101.29 ± 0.01°
• γ: 78.737 ± 0.008°
• Cell volume: 445.27 ± 0.16 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No