Information card for entry 7223987

Structure parameters

• Common name: Perbromonaphthalene
• Chemical name: Octabromonaphthalene
• Formula: C10 Br8
• Calculated formula: C10 Br8
• SMILES: c1(c(c(c(Br)c2c(c(c(c(Br)c12)Br)Br)Br)Br)Br)Br
• Title of publication: Cyclic π-electron delocalization in non-planar linear acenes.
• Authors of publication: Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 11813 - 11820
• a: 11.3832 ± 0.0004 Å
• b: 7.8114 ± 0.0003 Å
• c: 16.5506 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1471.66 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0148
• Residual factor for significantly intense reflections: 0.0109
• Weighted residual factors for significantly intense reflections: 0.0223
• Weighted residual factors for all reflections included in the refinement: 0.0227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No