Crystallography Open Database

Information card for entry 4033855

Preview

Coordinates	4033855.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
222432 (current)	2019-11-04	cif/ Adding structures of 4033855 via cif-deposit CGI script.	4033855.cif