Information card for entry 2011570

Structure parameters

• Chemical name: 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride diethyl ether solvate
• Formula: C9.64 H3.6 Cl6 O3.16
• Calculated formula: C9.66333 H3.65 Cl6 O3.17
• Title of publication: Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization
• Authors of publication: Bolte, Michael; Degen, Alexander; Egert, Ernst
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1338 - 1342
• a: 29.639 ± 0.004 Å
• b: 29.639 ± 0.004 Å
• c: 8.119 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6176.8 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes