Information card for entry 2003239

Structure parameters

• Formula: C22 H24 Cl8 O6
• Calculated formula: C22 H24 Cl8 O6
• SMILES: Cl[C@]12[C@H]3[C@H](COC[C@@H]4[C@H](COC3)[C@]3(Cl)C(=C(Cl)[C@@]4(Cl)C3(OC)OC)Cl)[C@](Cl)(C(=C1Cl)Cl)C2(OC)OC
• Title of publication: The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels‒Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene
• Authors of publication: Garcia, J. G.; Fronczek, F. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 468 - 471
• a: 14.3565 ± 0.0007 Å
• b: 14.8021 ± 0.0008 Å
• c: 25.612 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5442.7 ± 0.6 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.468
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No