Crystallography Open Database

Information card for entry 7156954

Preview

Coordinates	7156954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H62 N8 O7 S
Calculated formula	C48 H62 N8 O7 S
Title of publication	Synthesis and electrochromic behavior of a multi-electron redox-active N-heteroheptacenequinone.
Authors of publication	Isoda, Kyosuke; Matsuzaka, Mitsuru; Sugaya, Tomoaki; Yasuda, Takeshi; Tadokoro, Makoto
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	34
Pages of publication	7884 - 7890
a	8.996 ± 0.009 Å
b	13.612 ± 0.014 Å
c	20.05 ± 0.02 Å
α	87.116 ± 0.015°
β	82.877 ± 0.016°
γ	77.657 ± 0.015°
Cell volume	2379 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2268
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.2121
Weighted residual factors for all reflections included in the refinement	0.2828
Goodness-of-fit parameter for all reflections included in the refinement	0.853
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
225279 (current)	2019-11-08	cif/ Updating files of 7156954 Original log message: Adding full bibliography for 7156954.cif.	7156954.cif
216721	2019-07-04	cif/ Adding structures of 7156954 via cif-deposit CGI script.	7156954.cif