Information card for entry 7234630

Structure parameters

• Common name: DAC-TP
• Chemical name: 6,12-bis-(10-[1,1';3',1'']terphenyl-5'-yl-anthracen-9-yl)-chrysene
• Formula: C94 H60 Cl4
• Calculated formula: C94 H60 Cl4
• Title of publication: Excimer emission based on the control of molecular structure and intermolecular interactions
• Authors of publication: Jaehyun Lee; Hyocheol Jung; Hwangyu Shin; Joonghan Kim; Daisuke Yokoyama; Hidetaka Nishimura; Atsushi Wakamiya; Jongwook Park
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 2784 - 2792
• a: 9.6963 ± 0.0013 Å
• b: 32.629 ± 0.004 Å
• c: 11.449 ± 0.0016 Å
• α: 90°
• β: 113.025 ± 0.002°
• γ: 90°
• Cell volume: 3333.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No