Crystallography Open Database

Information card for entry 7238039

Preview

Coordinates	7238039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H58 N4 O
Calculated formula	C59 H58 N4 O
Title of publication	Photoluminescent manipulation of phenoxazine-based molecules via regulating conformational isomerization, and the corresponding electroluminescent properties
Authors of publication	Cheng, Zong; Liang, Jixiong; Li, Zhiqiang; Yang, Tong; Lin, Chunhui; Mu, Xiaoyue; Wang, Yue
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	45
Pages of publication	14255
a	38.7107 ± 0.0019 Å
b	11.7637 ± 0.0006 Å
c	21.4913 ± 0.001 Å
α	90°
β	98.148 ± 0.003°
γ	90°
Cell volume	9687.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0758
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1142
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
238878 (current)	2019-11-24	cif/ Adding structures of 7238038, 7238039 via cif-deposit CGI script.	7238039.cif