Information card for entry 2214652

Structure parameters

• Chemical name: <i>syn</i>-1,2,3,4,5,6,7,8,11,11,12,12-Dodecachloro-9,10-dimethoxy-1,4,5,8-\ tetrahydro-1,4:5,8-dimethanoanthracene
• Formula: C18 H6 Cl12 O2
• Calculated formula: C18 H6 Cl12 O2
• SMILES: ClC1=C(Cl)[C@]2(Cl)c3c(OC)c4c(c(OC)c3[C@@]1(Cl)C2(Cl)Cl)[C@]1(Cl)C(Cl)(Cl)[C@@]4(Cl)C(=C1Cl)Cl.ClC1=C(Cl)[C@@]2(Cl)c3c(OC)c4c(c(OC)c3[C@]1(Cl)C2(Cl)Cl)[C@@]1(Cl)C(Cl)(Cl)[C@]4(Cl)C(=C1Cl)Cl
• Title of publication: <i>syn</i>-1,2,3,4,5,6,7,8,11,11,12,12-Dodecachloro-9,10-dimethoxy-1,4,5,8-tetrahydro-1,4:5,8-dimethanoanthracene
• Authors of publication: Amanda J. Watson; Megan E. O'Brien; Matthew D. Brooker; Daniel S. Jones; Markus Etzkorn
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3565 - o3565
• a: 9.0234 ± 0.0009 Å
• b: 10.4481 ± 0.0013 Å
• c: 14.1446 ± 0.0016 Å
• α: 95.513 ± 0.01°
• β: 102.642 ± 0.009°
• γ: 106.388 ± 0.009°
• Cell volume: 1230.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes