Crystallography Open Database

Information card for entry 4003363

Preview

Coordinates	4003363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 N2 O2
Calculated formula	C30 H32 N2 O2
SMILES	CCCCN(C)c1ccc2c3c(C(=O)c2c1)cc1c2ccc(N(CCCC)C)cc2C(=O)c1c3
Title of publication	Enhancing the Thermal Stability of Organic Field-Effect Transistors by Electrostatically Interlocked 2D Molecular Packing
Authors of publication	Fan, Zhi-Ping; Li, Xiang-Yang; Purdum, Geoffrey E.; Hu, Chen-Xia; Fei, Xian; Shi, Zi-Fa; Sun, Chun-Lin; Shao, Xiangfeng; Loo, Yueh-Lin; Zhang, Hao-Li
Journal of publication	Chemistry of Materials
Year of publication	2018
Journal volume	30
Journal issue	11
Pages of publication	3638
a	14.578 ± 0.004 Å
b	8.571 ± 0.002 Å
c	9.811 ± 0.003 Å
α	90°
β	90.386 ± 0.005°
γ	90°
Cell volume	1225.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
231537 (current)	2019-11-22	cif/ Adding structures of 4003363 via cif-deposit CGI script.	4003363.cif