Information card for entry 4033701

Structure parameters

• Formula: C7 H5 Cl3 O4
• Calculated formula: C7 H5 Cl3 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: 5.8299 ± 0.0005 Å
• b: 6.6662 ± 0.0006 Å
• c: 7.1505 ± 0.0006 Å
• α: 102.337 ± 0.003°
• β: 112.745 ± 0.003°
• γ: 95.285 ± 0.003°
• Cell volume: 245.61 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No