Information card for entry 7057269

Structure parameters

• Chemical name: 2,7-dithienyl-1,3,6,8-tetramethylBOPHY
• Formula: C22 H20 B2 F4 N4 S2
• Calculated formula: C22 H20 B2 F4 N4 S2
• 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: 13.769 ± 0.005 Å
• b: 5.3789 ± 0.0018 Å
• c: 15.474 ± 0.005 Å
• α: 90°
• β: 108.141 ± 0.005°
• γ: 90°
• Cell volume: 1089.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No