Information card for entry 1568258

Structure parameters

• Formula: C16 H9 B F2 N2 O S
• Calculated formula: C16 H9 B F2 N2 O S
• Title of publication: BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.
• Authors of publication: Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1434 - 1442
• a: 7.763 ± 0.003 Å
• b: 24.877 ± 0.01 Å
• c: 7.273 ± 0.003 Å
• α: 90°
• β: 90.525 ± 0.012°
• γ: 90°
• Cell volume: 1404.5 ± 1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0977
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No