Information card for entry 7215110

Structure parameters

• Formula: C256 H272 N6
• Calculated formula: C256 H272 N6
• SMILES: c12c(cccc2)c2c(n1c1cc3c(cc1)c1ccc(cc1C3(CCCCCC)CCCCCC)c1c(c(c(c3cc4c(c5c(cc(n6c7c(c8c6cccc8)cccc7)cc5)C4(CCCCCC)CCCCCC)cc3)c(c1c1ccc3c(c1)C(c1c3ccc(n3c4ccccc4c4c3cccc4)c1)(CCCCCC)CCCCCC)c1ccc3c(c1)C(c1c3ccc(n3c4c(cccc4)c4ccccc34)c1)(CCCCCC)CCCCCC)c1ccc3c(c1)C(c1c3ccc(n3c4ccccc4c4c3cccc4)c1)(CCCCCC)CCCCCC)c1ccc3c(c1)C(c1c3ccc(n3c4c(cccc4)c4ccccc34)c1)(CCCCCC)CCCCCC)cccc2.c1ccccc1C.c1ccccc1C.c1ccccc1C.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: 12.983 ± 0.004 Å
• b: 17.325 ± 0.005 Å
• c: 25.312 ± 0.007 Å
• α: 106.99 ± 0.005°
• β: 97.554 ± 0.005°
• γ: 105.072 ± 0.005°
• Cell volume: 5123 ± 3 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: 0.1385
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.2995
• Weighted residual factors for all reflections included in the refinement: 0.3382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No