Information card for entry 2010308

Structure parameters

• Formula: C24 H15 Br
• Calculated formula: C24 H15 Br
• SMILES: Brc1c2cc3ccccc3cc2c(c2c1cccc2)c1ccccc1
• Title of publication: 5-Bromo-12-phenyltetracene
• Authors of publication: Conole, G.; O'Donovan, G.J.; Shepherd, M.K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1992 - 1995
• a: 12.118 ± 0.003 Å
• b: 13.723 ± 0.003 Å
• c: 11.807 ± 0.002 Å
• α: 101.64 ± 0.02°
• β: 119.22 ± 0.04°
• γ: 87.42 ± 0.01°
• Cell volume: 1675.1 ± 0.9 ų
• Cell temperature: 298 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 significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0552
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No