Information card for entry 2007156

Structure parameters

• Formula: C16 H8 Cl10
• Calculated formula: C16 H8 Cl10
• SMILES: Cl[C@@]12[C@H]3[C@H]4c5c(Cl)c(Cl)c(Cl)c(Cl)c5[C@@H]([C@H]3[C@@](Cl)([C@H](Cl)[C@@H]1Cl)C2(Cl)Cl)C4
• Title of publication: Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer
• Authors of publication: Wilson, Claire; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 544 - 547
• a: 13.911 ± 0.003 Å
• b: 10.357 ± 0.002 Å
• c: 28.782 ± 0.006 Å
• α: 90°
• β: 102.87 ± 0.02°
• γ: 90°
• Cell volume: 4042.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for all reflections: 1.304
• Goodness-of-fit parameter for significantly intense reflections: 1.427
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes