Crystallography Open Database

Information card for entry 7234504

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Coordinates	7234504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H54 N2 O4
Calculated formula	C38 H54 N2 O4
Title of publication	Enhanced electron mobility in crystalline thionated naphthalene diimides
Authors of publication	Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	11505 - 11515
a	4.6352 ± 0.0002 Å
b	6.6073 ± 0.0002 Å
c	27.9285 ± 0.0009 Å
α	92.995 ± 0.002°
β	94.603 ± 0.002°
γ	104.495 ± 0.002°
Cell volume	823.12 ± 0.05 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 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	0.0535
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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