Information card for entry 4114987

Structure parameters

• Formula: C20 H16 Br2 O4
• Calculated formula: C20 H16 Br2 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: 8.049 ± 0.001 Å
• b: 5.6585 ± 0.0006 Å
• c: 21.477 ± 0.003 Å
• α: 90°
• β: 96.97 ± 0.003°
• γ: 90°
• Cell volume: 970.9 ± 0.2 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No