Information card for entry 1516337

Structure parameters

• Common name: N-(3-(Anthracen-9-yl)propyl)-4-bromo-N-methylbenzenamine
• Chemical name: N-(3-(Anthracen-9-yl)propyl)-4-bromo-N-methylbenzenamine
• Formula: C24 H22 Br N
• Calculated formula: C24 H22 Br N
• SMILES: Brc1ccc(N(CCCc2c3ccccc3cc3ccccc23)C)cc1
• 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: 9.285 ± 0.0005 Å
• b: 10.42 ± 0.0004 Å
• c: 10.928 ± 0.0006 Å
• α: 67.167 ± 0.005°
• β: 81.424 ± 0.005°
• γ: 78.925 ± 0.005°
• Cell volume: 953.03 ± 0.09 ų
• Cell temperature: 122 K
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No