Information card for entry 2242087

Structure parameters

• Chemical name: 4,5-Dibromophenanthrene
• Formula: C14 H8 Br2
• Calculated formula: C14 H8 Br2
• SMILES: c1ccc(c2c1ccc1cccc(c21)Br)Br
• Title of publication: Crystal structure of 4,5-dibromophenanthrene
• Authors of publication: Kim, Nicholas S.; Thamattoor, Dasan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 539 - 542
• a: 16.84 ± 0.003 Å
• b: 8.6112 ± 0.0016 Å
• c: 8.1418 ± 0.0015 Å
• α: 90°
• β: 103.735 ± 0.002°
• γ: 90°
• Cell volume: 1146.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes