Information card for entry 7057268

Structure parameters

• Chemical name: 2,7-diphenyl-1,3,6,8-tetramethylBOPHY
• Formula: C26 H24 B2 F4 N4
• Calculated formula: C26 H24 B2 F4 N4
• Title of publication: J-Aggregation induced emission enhancement of a thienyl substituted bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) dye
• Authors of publication: Jiang, Liang; Gao, Hu; Gai, Lizhi; Shen, Zhen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 8271
• a: 8.459 ± 0.0005 Å
• b: 32.4 ± 0.002 Å
• c: 8.9587 ± 0.0005 Å
• α: 90°
• β: 110.775 ± 0.002°
• γ: 90°
• Cell volume: 2295.7 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No