Information card for entry 4036738

Structure parameters

• Formula: C10 H2 Br2 Cl2 I2 N2
• Calculated formula: C10 H2 Br2 Cl2 I2 N2
• SMILES: Ic1c(c(Cl)c(Br)nc1)c1c(I)cnc(Br)c1Cl
• Title of publication: Chiral Hexahalogenated 4,4'-Bipyridines.
• Authors of publication: Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 4576 - 4587
• a: 7.779 ± 0.004 Å
• b: 12.148 ± 0.005 Å
• c: 16.057 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1517.4 ± 1.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No