Information card for entry 1516338

Structure parameters

• Common name: N-(3-(Anthracen-9-yl)propyl)-4-chloro-N-methylbenzenamine
• Chemical name: N-(3-(Anthracen-9-yl)propyl)-4-chloro-N-methylbenzenamine
• Formula: C24 H22 Cl N
• Calculated formula: C24 H22 Cl N
• SMILES: Clc1ccc(N(C)CCCc2c3c(cccc3)cc3c2cccc3)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: 9.298 ± 0.0005 Å
• b: 10.261 ± 0.0007 Å
• c: 10.943 ± 0.0007 Å
• α: 66.706 ± 0.005°
• β: 81.271 ± 0.005°
• γ: 78.544 ± 0.006°
• Cell volume: 936.72 ± 0.11 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: 0.0693
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No