Information card for entry 2201063

Structure parameters

• Common name: none
• Chemical name: 1,2,4,5,6,7,8,9-octachlorotricyclo[5.2.1.0^2,6^]deca-4,8-diene-3,10-diol
• Formula: C10 H4 Cl8 O2
• Calculated formula: C10.115 H4.345 Cl7.885 O2.115
• SMILES: ClC1=C(Cl)[C@@H]([C@]2([C@]1(Cl)[C@@]1(Cl)C(=C([C@@]2([C@H]1O)Cl)Cl)Cl)Cl)O.ClC1=C(Cl)[C@H]([C@@]2([C@@]1(Cl)[C@]1(Cl)C(=C([C@]2([C@@H]1O)Cl)Cl)Cl)Cl)O
• Title of publication: 1,2,4,5,6,7,8,9-Octachlorotricyclo[5.2.1.0^2,6^]deca-4,8-diene-3,10-diol
• Authors of publication: Gilardi, Richard; Tang, Datong; Eaton, Philip E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o562 - o564
• a: 8.323 ± 0.002 Å
• b: 16.967 ± 0.005 Å
• c: 10.411 ± 0.003 Å
• α: 90°
• β: 91.31 ± 0.02°
• γ: 90°
• Cell volume: 1469.8 ± 0.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes