Crystallography Open Database

Information card for entry 1571736

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Coordinates	1571736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 N2 O4
Calculated formula	C30 H38 N2 O4
Title of publication	Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.
Authors of publication	Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	25
Pages of publication	9630 - 9640
a	5.088 ± 0.008 Å
b	7.898 ± 0.012 Å
c	17.03 ± 0.02 Å
α	93.5 ± 0.05°
β	92.9 ± 0.04°
γ	93.65 ± 0.05°
Cell volume	680.7 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.2081
Residual factor for significantly intense reflections	0.1776
Weighted residual factors for significantly intense reflections	0.3906
Weighted residual factors for all reflections included in the refinement	0.4118
Goodness-of-fit parameter for all reflections included in the refinement	1.668
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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