Information card for entry 2205587

Structure parameters

• Common name: Dibromoazulene
• Chemical name: 1,3-Dibromoazulene
• Formula: C10 H6 Br2
• Calculated formula: C10 H6 Br2
• SMILES: Brc1cc(c2c1ccccc2)Br
• Title of publication: 1,3-Dibromoazulene
• Authors of publication: Chen, Xue-Yi; Dias, Jerry R.; Powell, Doug R.; Van Horn, J. David; Sandreczki, Thomas C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o941 - o943
• a: 8.3575 ± 0.0014 Å
• b: 15.114 ± 0.002 Å
• c: 7.184 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 907.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes