Information card for entry 2200947

Structure parameters

• Formula: C14 H8 Br6
• Calculated formula: C14 H8 Br6
• SMILES: Br[C@H]1[C@H](Br)[C@H](Br)[C@@H](Br)c2c(Br)c3ccccc3c(Br)c12
• Title of publication: <i>trans,cis,trans</i>-1,2,3,4,9,10-Hexabromo-1,2,3,4-tetrahydroanthracene
• Authors of publication: Hökelek, Tuncer; Tutar, Ahmet; Çakmak, Osman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o10 - o12
• a: 7.9289 ± 0.001 Å
• b: 8.4017 ± 0.001 Å
• c: 13.285 ± 0.001 Å
• α: 79.759 ± 0.005°
• β: 82.136 ± 0.006°
• γ: 72.503 ± 0.005°
• Cell volume: 827.32 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes