Crystallography Open Database

Information card for entry 7249649

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Coordinates	7249649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H41 N2 O2 S
Calculated formula	C41 H41 N2 O2 S
Title of publication	Time-Resolved Transient Optical and Electron Paramagnetic Resonance Spectroscopic Studies of Electron Donor-Acceptor Thermally Activated Delayed Fluorescence Emitters based on Naphthalene-Phenothiazine Dyads
Authors of publication	Ye, Kaiyue; Sukhanov, Andrey; Pang, Yu; Mambetov, Aidar; Li, Minjie; Cao, Liyuan; Zhao, Jianzhang; voronkova, violeta; Peng, Qian; Wan, Yan
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2024
a	30.268 ± 0.005 Å
b	16.968 ± 0.003 Å
c	14.422 ± 0.002 Å
α	90°
β	115.649 ± 0.005°
γ	90°
Cell volume	6677.1 ± 1.9 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1818
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.22
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296143 (current)	2024-11-28	cif/ Adding structures of 7249649 via cif-deposit CGI script.	7249649.cif