Crystallography Open Database

Information card for entry 4003364

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Coordinates	4003364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 N2 O2
Calculated formula	C30 H32 N2 O2
SMILES	c12C(=O)c3c(c2cc2c(c1)c1c(C2=O)cc(cc1)N(C)CCCC)ccc(c3)N(C)CCCC
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	7.5 ± 0.003 Å
b	8.528 ± 0.004 Å
c	10.009 ± 0.004 Å
α	80.48 ± 0.04°
β	73.28 ± 0.03°
γ	83.45 ± 0.03°
Cell volume	603.2 ± 0.5 Å³
Cell temperature	293.18 ± 0.1 K
Ambient diffraction temperature	293.18 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2368
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.1812
Weighted residual factors for all reflections included in the refinement	0.278
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation probe	x-ray
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
231538 (current)	2019-11-22	cif/ Adding structures of 4003364 via cif-deposit CGI script.	4003364.cif