Information card for entry 2200494

Structure parameters

• Formula: C14 H14 Cl4 O2
• Calculated formula: C14 H14 Cl4 O2
• SMILES: Cl[C@]12C(=C(Cl)[C@](Cl)([C@@H]3[C@H]4C=C[C@@H]([C@H]13)C4)C2(OC)OC)Cl
• Title of publication: 1,2,3,4-Tetrachloro-11,11-dimethoxy-1,4,5,6,9,10-hexahydro-<i>endo</i>-1,4-<i>exo</i>-6,9-dimethanonaphthalene
• Authors of publication: Blake, Alexander J.; Dietel, Anja; Li, Wan-Sheung; Thomas, Neil R.; Marr, Andrew C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o790 - o791
• a: 13.259 ± 0.005 Å
• b: 14.383 ± 0.004 Å
• c: 15.635 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2981.7 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.044
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes