Crystallography Open Database

Information card for entry 7238004

Preview

Coordinates	7238004.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PI33PPCz
Formula	C45 H29 N3
Calculated formula	C45 H29 N3
Title of publication	Isomer dependent molecular packing and carrier mobility of N-phenylcarbazole‒phenanthro[9,10-d]imidazole based materials as hosts for efficient electrophosphorescence devices
Authors of publication	Li, Zhiqiang; Cheng, Zong; Lin, Jianyan; Xie, Ning; Li, Chenglong; Yang, Guochun; Wang, Yue
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	43
Pages of publication	13486
a	12.5354 ± 0.0008 Å
b	14.1497 ± 0.0009 Å
c	35.992 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6384 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
238828 (current)	2019-11-24	cif/ Adding structures of 7238004, 7238005 via cif-deposit CGI script.	7238004.cif