Information card for entry 7239832

Structure parameters

• Chemical name: N,N-diphenyl-4"-(1-phenyl-1H-benzo[d]imidazole-2-yl)-[1,1':3',1"-terphenyl]-4-amine
• Formula: C1.87 H1.35 N0.13
• Calculated formula: C1.86957 H1.34783 N0.130435
• Title of publication: Terphenyl backbone-based donor-π-acceptor dyads: geometric isomer effects on intramolecular charge transfer.
• Authors of publication: Kim, Min-Ji; Ahn, Mina; Shim, Jun Ho; Wee, Kyung-Ryang
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 3370 - 3378
• a: 9.7503 ± 0.0005 Å
• b: 18.6569 ± 0.0011 Å
• c: 19.6036 ± 0.0011 Å
• α: 65.086 ± 0.002°
• β: 76.413 ± 0.002°
• γ: 80.311 ± 0.002°
• Cell volume: 3134 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No