Information card for entry 1516336

Structure parameters

• Common name: 4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-methylbenzenamine
• Chemical name: 4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-methylbenzenamine
• Formula: C24 H21 Cl2 N
• Calculated formula: C24 H22 Cl2 N
• SMILES: Clc1ccc(N(CCCc2c3ccccc3c(Cl)c3c2CC=CC3)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: 8.09 ± 0.004 Å
• b: 9.054 ± 0.009 Å
• c: 27.394 ± 0.011 Å
• α: 90 ± 0.07°
• β: 90 ± 0.06°
• γ: 90 ± 0.05°
• Cell volume: 2007 ± 2 ų
• Cell temperature: 293 ± 2 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: 0.0513
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No