Information card for entry 4033855

Structure parameters

• Formula: C23 H23 N O2 Pt S
• Calculated formula: C23 H23 N O2 Pt S
• SMILES: [Pt]12(c3c(c4[n]2cccc4)sc(c3)C(C)(C)c2ccccc2)OC(=CC(=[O]1)C)C
• Title of publication: Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.
• Authors of publication: Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10749 - 10756
• a: 13.706 ± 0.01 Å
• b: 12.365 ± 0.008 Å
• c: 12.403 ± 0.009 Å
• α: 90°
• β: 105.277 ± 0.008°
• γ: 90°
• Cell volume: 2028 ± 2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No