Crystallography Open Database

Information card for entry 4515172

Preview

Coordinates	4515172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 N
Calculated formula	C21 H15 N
SMILES	c12c(c3ccccc3c3ccccc13)n(c1c2cccc1)C
Title of publication	Facile-Effective Hole-Transporting Materials Based on Dibenzo[a,c]carbazole: The Key Role of Linkage Position to Photovoltaic Performance of Perovskite Solar Cells
Authors of publication	Liu, Fan; Wu, Fei; Ling, Weidong; Tu, Zongxiao; Zhang, Jianqi; Wei, Zhixiang; Zhu, Linna; Li, Qianqian; Li, Zhen
Journal of publication	ACS Energy Letters
Year of publication	2019
Journal volume	4
Journal issue	10
Pages of publication	2514
a	24.823 ± 0.005 Å
b	10.2507 ± 0.0019 Å
c	11.275 ± 0.002 Å
α	90°
β	103.362 ± 0.004°
γ	90°
Cell volume	2791.3 ± 0.9 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
220274 (current)	2019-10-28	cif/ Adding structures of 4515172 via cif-deposit CGI script.	4515172.cif