Information card for entry 7055834

Structure parameters

• Common name: AA132
• Formula: C30 H18 Br2
• Calculated formula: C30 H18 Br2
• SMILES: Brc1ccc(c2c3c4c(cccc4)c4ccccc4c3c(cc2)c2ccc(Br)cc2)cc1
• Title of publication: Tribenzopentaphene derivatives with lateral aromatic groups: the effect of the nature and position of substituents on emission properties
• Authors of publication: Alameddine, Bassam; Anju, Rajamohanan Sobhana; Al-Sagheer, Fakhreia; Jenny, Titus A.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10363
• a: 6.9338 ± 0.0004 Å
• b: 13.1529 ± 0.0007 Å
• c: 13.712 ± 0.001 Å
• α: 64.451 ± 0.005°
• β: 83.6 ± 0.006°
• γ: 79.575 ± 0.006°
• Cell volume: 1108.84 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No