Information card for entry 7235045

Structure parameters

• Chemical name: CC-MP7
• Formula: C57 H51 B N2 S2
• Calculated formula: C57 H51 B N2 S2
• SMILES: S1c2c(N(c3cc(cc(B(c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)c3)c3ccc4N(c5ccccc5Sc4c3)c3c(cc(cc3C)C)C)c3c1cccc3)cccc2
• Title of publication: A phenothiazine/dimesitylborane hybrid material as a bipolar transport host of red phosphor
• Authors of publication: Yu-Jen Cheng; Siao-Yin Yu; Song-Cheng Lin; Jiann T. Lin; Li-Yin Chen; Dai-Sin Hsiu; Yuh Sheng Wen; Mandy M. Lee; Shih-Sheng Sun
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 9499 - 9508
• a: 12.365 ± 0.0004 Å
• b: 14.4741 ± 0.0004 Å
• c: 15.2565 ± 0.0004 Å
• α: 64.148 ± 0.001°
• β: 71.704 ± 0.001°
• γ: 89.432 ± 0.001°
• Cell volume: 2307.11 ± 0.12 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No