Information card for entry 1559181

Structure parameters

• Formula: C35 H30 B F3 N2 O3 S
• Calculated formula: C35 H30 B F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[n+]12cc(ccc1c1[n](cc(cc1)C#Cc1ccccc1)[B]12C2CCCC1CCC2)C#Cc1ccccc1
• 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: 11.0952 ± 0.0004 Å
• b: 11.5436 ± 0.0004 Å
• c: 14.1018 ± 0.0004 Å
• α: 112.209 ± 0.008°
• β: 108.743 ± 0.008°
• γ: 94.906 ± 0.007°
• Cell volume: 1538.71 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No