Information card for entry 7129755

Structure parameters

• Formula: C22 H27 B F2 N2 O6 P2
• Calculated formula: C22 H27 B F2 N2 O6 P2
• Title of publication: Silver-mediated, direct phosphorylation of BODIPY dyes at the 3- or 3,5-positions with H-phosphonates.
• Authors of publication: Lv, Fan; Li, Heng; Wu, Qinghua; Guo, Xing; Zhang, Hongtao; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 24
• Pages of publication: 3937 - 3940
• a: 14.4985 ± 0.0005 Å
• b: 15.0627 ± 0.0005 Å
• c: 11.9448 ± 0.0004 Å
• α: 90°
• β: 107.78 ± 0.001°
• γ: 90°
• Cell volume: 2483.99 ± 0.15 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 7
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No