Information card for entry 1559179

Structure parameters

• Formula: C28 H27 B Cl3 F3 N2 O3 S3
• Calculated formula: C28 H27 B Cl3 F3 N2 O3 S3
• SMILES: ClC(Cl)Cl.s1c(c2cc[n]3c(c2)c2[n](ccc(c2)c2sccc2)[B]23C3CCCC2CCC3)ccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.
• Authors of publication: Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2020
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 1517 - 1521
• a: 9.76723 ± 0.00018 Å
• b: 10.8636 ± 0.0002 Å
• c: 29.3189 ± 0.0006 Å
• α: 86.89 ± 0.006°
• β: 86.035 ± 0.006°
• γ: 85.589 ± 0.006°
• Cell volume: 3090.56 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No