Information card for entry 7215109

Structure parameters

• Formula: C54 H64 Cl4 N2 O12 P4
• Calculated formula: C54 H64 Cl4 N2 O12 P4
• SMILES: n1(c2c(c3c1ccc(c3)P(=O)(OCC)OCC)cc(P(=O)(OCC)OCC)cc2)c1ccc(c2ccc(n3c4ccc(cc4c4cc(P(=O)(OCC)OCC)ccc34)P(=O)(OCC)OCC)cc2)cc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Phosphonate substituted 4,4′-bis(N-carbazolyl)biphenyl with dominant electron injection/transport ability for tuning the single-layer device performance of self-host phosphorescent dendrimer
• Authors of publication: Chen, Bo; Ding, Junqiao; Wang, Lixiang; Jing, Xiabin; Wang, Fosong
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 44
• Pages of publication: 23680
• a: 13.204 ± 0.002 Å
• b: 10.4398 ± 0.0015 Å
• c: 21.992 ± 0.003 Å
• α: 90°
• β: 99.421 ± 0.002°
• γ: 90°
• Cell volume: 2990.6 ± 0.7 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No