Information card for entry 1516334

Structure parameters

• Common name: 4-Bromo-N-(3-(10-bromoanthracen-9-yl)propyl)-N-methylaniline
• Chemical name: 4-Bromo-N-(3-(10-bromoanthracen-9-yl)propyl)-N-methylaniline
• Formula: C24 H21 Br2 N
• Calculated formula: C24 H21 Br2 N
• SMILES: Brc1ccc(cc1)N(CCCc1c2ccccc2c(c2c1cccc2)Br)C
• Title of publication: Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes
• Authors of publication: Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2014
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1093 - 1105
• a: 8.187 ± 0.0008 Å
• b: 9.207 ± 0.0009 Å
• c: 27.256 ± 0.003 Å
• α: 90.044 ± 0.008°
• β: 89.948 ± 0.01°
• γ: 106.384 ± 0.008°
• Cell volume: 1971.1 ± 0.4 ų
• Cell temperature: 122 K
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No