Information card for entry 7215111

Structure parameters

• Formula: C256 H284 N6
• Calculated formula: C256 H284 N6
• SMILES: N(c1ccc2c3ccc(c4c(c5cc6C(c7c(c6cc5)ccc(N(c5ccccc5)c5ccccc5)c7)(CCCCCC)CCCCCC)c(c5ccc6c(c5)C(c5c6ccc(c5)N(c5ccccc5)c5ccccc5)(CCCCCC)CCCCCC)c(c(c5cc6C(c7c(ccc(N(c8ccccc8)c8ccccc8)c7)c6cc5)(CCCCCC)CCCCCC)c4c4ccc5c(c4)C(c4c5ccc(N(c5ccccc5)c5ccccc5)c4)(CCCCCC)CCCCCC)c4ccc5c(c4)C(c4c5ccc(N(c5ccccc5)c5ccccc5)c4)(CCCCCC)CCCCCC)cc3C(c2c1)(CCCCCC)CCCCCC)(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1ccccc1C.c1(ccccc1)C.c1ccccc1C
• Title of publication: Star-shaped hexakis(9,9-dihexyl-9H-fluoren-2-yl)benzene end-capped with carbazole and diphenylamine units: solution-processable, high Tg hole-transporting materials for organic light-emitting devices
• Authors of publication: Zou, Yang; Ye, Tengling; Ma, Dongge; Qin, Jingui; Yang, Chuluo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 44
• Pages of publication: 23485
• a: 17.37 ± 0.002 Å
• b: 17.5261 ± 0.0019 Å
• c: 19.152 ± 0.002 Å
• α: 111.516 ± 0.002°
• β: 95.702 ± 0.002°
• γ: 104.294 ± 0.002°
• Cell volume: 5138.3 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1729
• Residual factor for significantly intense reflections: 0.1317
• Weighted residual factors for significantly intense reflections: 0.3724
• Weighted residual factors for all reflections included in the refinement: 0.4097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.551
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No