Crystallography Open Database

Information card for entry 1568056

Preview

Coordinates	1568056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N2 O2
Calculated formula	C18 H15 N2 O2
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	20.1187 ± 0.0009 Å
b	16.7884 ± 0.0009 Å
c	8.3834 ± 0.0003 Å
α	90°
β	102.468 ± 0.004°
γ	90°
Cell volume	2764.8 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281394 (current)	2023-03-04	cif/ Updating files of 1568056, 1568057, 1568058, 1568059 Original log message: Adding full bibliography for 1568056--1568059.cif.	1568056.cif
279743	2022-12-07	cif/ Adding structures of 1568056, 1568057, 1568058, 1568059 via cif-deposit CGI script.	1568056.cif