Crystallography Open Database

Information card for entry 1570802

Preview

Coordinates	1570802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11 N O
Calculated formula	C18 H11 N O
SMILES	o1c2ccccc2c2ccc3[nH]c4ccccc4c3c12
Title of publication	Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.
Authors of publication	Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	8
Pages of publication	2778 - 2785
a	21.6821 ± 0.0011 Å
b	5.327 ± 0.0004 Å
c	22.9919 ± 0.0015 Å
α	90°
β	114.126 ± 0.005°
γ	90°
Cell volume	2423.6 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0407
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290115 (current)	2024-03-04	cif/ Updating files of 1570802, 1570803 Original log message: Adding full bibliography for 1570802--1570803.cif.	1570802.cif
289125	2024-01-18	cif/ Adding structures of 1570802, 1570803 via cif-deposit CGI script.	1570802.cif