Information card for entry 2200842

Structure parameters

• Chemical name: 5,7,7,8,10-Pentabromo-7,8-dihydro-benzocyclooctene
• Formula: C12 H7 Br5
• Calculated formula: C12 H7 Br5
• SMILES: c1ccc2C(=CC(C(C=C(c2c1)Br)Br)(Br)Br)Br
• Title of publication: 5,7,7,8,10-Pentabromo-7,8-dihydrobenzocyclooctene
• Authors of publication: İsmail Çelik; Ahmet Tutar; Mehmet Akkurt; Yusuf Özcan; Osman Çakmak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o314 - o316
• a: 11.727 ± 0.005 Å
• b: 11.25 ± 0.005 Å
• c: 12.104 ± 0.005 Å
• α: 90 ± 0.005°
• β: 112.957 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1470.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes