Information card for entry 4033703

Structure parameters

• Formula: C7 H4 Cl4 O4
• Calculated formula: C7 H4 Cl4 O4
• Title of publication: Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.
• Authors of publication: Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 5
• Pages of publication: 2448 - 2461
• a: 12.3753 ± 0.0011 Å
• b: 12.0364 ± 0.0011 Å
• c: 21.8658 ± 0.0019 Å
• α: 90°
• β: 100.758 ± 0.003°
• γ: 90°
• Cell volume: 3199.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No