Crystallography Open Database

Information card for entry 1573872

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Coordinates	1573872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 N
Calculated formula	C18 H13 N
Title of publication	Face-on Oriented Self-Assembled Molecules with Enhanced π-π Stacking for Highly Efficient Inverted Perovskite Solar Cells on Rough FTO Substrate
Authors of publication	Du, Jiajun; Chen, Jinling; Ouyang, Beilin; Sun, Anxin; Tian, Congcong; Zhuang, Rongshan; Chen, Chen; Liu, Shuo; Chen, Qianwen; Li, Ziyi; Wu, Xiling; Cai, Jingyu; Zhao, Yuyang; Li, Ran; Xue, Teng; Cen, Tiantian; Zhao, Kaibo; Chen, Chun-Chao
Journal of publication	Energy & Environmental Science
Year of publication	2025
a	6.4624 ± 0.0005 Å
b	7.3908 ± 0.0005 Å
c	13.2977 ± 0.0011 Å
α	90°
β	101.493 ± 0.008°
γ	90°
Cell volume	622.39 ± 0.08 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297672 (current)	2025-02-11	cif/ Adding structures of 1573871, 1573872 via cif-deposit CGI script.	1573872.cif