Information card for entry 2007206

Structure parameters

• Formula: C18 H12 Cl12 O2
• Calculated formula: C18 H12 Cl12 O2
• SMILES: ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2COC[C@H]2[C@@H](COC1)[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl
• Title of publication: <i>endo</i>-<i>endo</i>-<i>anti</i> Diels‒Alder Diadduct of Hexachlorocyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene
• Authors of publication: Garcia, J. Gabriel; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 645 - 647
• a: 26.831 ± 0.002 Å
• b: 15.2944 ± 0.0007 Å
• c: 24.952 ± 0.001 Å
• α: 90°
• β: 94 ± 0.01°
• γ: 90°
• Cell volume: 10214.5 ± 1 ų
• Cell temperature: 296 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 significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No