Information card for entry 1516335

Structure parameters

• Common name: 4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-ethylbenzenamine
• Chemical name: 4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-ethylbenzenamine
• Formula: C25 H23 Cl2 N
• Calculated formula: C25 H23 Cl2 N
• SMILES: CCN(c1ccc(cc1)Cl)CCCc1c2ccccc2c(c2c1cccc2)Cl
• 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: 8.817 ± 0.002 Å
• b: 20.29 ± 0.002 Å
• c: 23.921 ± 0.003 Å
• α: 108.891 ± 0.011°
• β: 90.992 ± 0.01°
• γ: 91.387 ± 0.011°
• Cell volume: 4046.3 ± 1.2 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: 0.1414
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.3212
• Weighted residual factors for all reflections included in the refinement: 0.3332
• Goodness-of-fit parameter for all reflections included in the refinement: 2.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No