Information card for entry 1567326

Structure parameters

• Formula: C33 H23 B F5 O2 S3
• Calculated formula: C33 H23 B F5 O2 S3
• SMILES: s1cccc1/C=C/C1=[O][B](F)(F)OC(=C1)/C=C/c1sc(c(c1)C1=C(CCC1)c1cc(sc1C)c1ccc(cc1)C(F)(F)F)C
• Title of publication: Green-/NIR-light-controlled rapid photochromism featuring reversible thermally activated delayed fluorescence and photoelectronic switching
• Authors of publication: Li, Ziyong; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Shuren; Chen, Si; Zhou, Hui; Yang, Xiao-Gang
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 9381 - 9386
• a: 7.3149 ± 0.0012 Å
• b: 8.4664 ± 0.0013 Å
• c: 25.63 ± 0.004 Å
• α: 93.482 ± 0.013°
• β: 94.312 ± 0.013°
• γ: 100.726 ± 0.014°
• Cell volume: 1550.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.308
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No