Information card for entry 2007157

Structure parameters

• Formula: C20 H16 Cl4
• Calculated formula: C20 H16 Cl4
• SMILES: Clc1c2[C@@H]3c4c([C@H](c2c(Cl)c(Cl)c1Cl)C1CCC3CC1)cccc4.Clc1c2[C@H]3c4c([C@@H](c2c(Cl)c(Cl)c1Cl)C1CCC3CC1)cccc4
• 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: 7.0543 ± 0.0007 Å
• b: 8.8125 ± 0.0009 Å
• c: 15.016 ± 0.001 Å
• α: 72.98 ± 0.003°
• β: 77.562 ± 0.003°
• γ: 69.707 ± 0.003°
• Cell volume: 830.42 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.0947
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No