Crystallography Open Database

Information card for entry 1568059

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Coordinates	1568059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H49 N4 O4
Calculated formula	C52 H49 N4 O4
Title of publication	Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.
Authors of publication	Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	3
Pages of publication	635 - 642
a	34.9018 ± 0.0013 Å
b	59.974 ± 0.003 Å
c	7.6088 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	15926.7 ± 1.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1163
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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