Crystallography Open Database

Information card for entry 7235226

Preview

Coordinates	7235226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 N2 O4
Calculated formula	C42 H26 N2 O4
Title of publication	Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water
Authors of publication	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	3
Pages of publication	497 - 505
a	12.1391 ± 0.0002 Å
b	12.7561 ± 0.00012 Å
c	38.9751 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6035.2 ± 0.13 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2882
Weighted residual factors for all reflections included in the refinement	0.2908
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257488 (current)	2020-10-06	cif/ Updating files of 7235220, 7235221, 7235222, 7235223, 7235224, 7235225, 7235226 Original log message: Adding full bibliography for 7235220--7235226.cif.	7235226.cif
247684	2020-02-04	cif/ Updating files of 7235220, 7235221, 7235222, 7235223, 7235224, 7235225, 7235226 Original log message: Adding full bibliography for 7235220--7235226.cif.	7235226.cif
231106	2019-11-21	cif/ Adding structures of 7235220, 7235221, 7235222, 7235223, 7235224, 7235225, 7235226 via cif-deposit CGI script.	7235226.cif