Crystallography Open Database

Information card for entry 7235224

Preview

Coordinates	7235224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H43 N4 O11
Calculated formula	C42 H43 N4 O11
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	33.4734 ± 0.001 Å
b	10.5712 ± 0.0004 Å
c	11.1961 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3961.8 ± 0.2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	7235224.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.	7235224.cif
231106	2019-11-21	cif/ Adding structures of 7235220, 7235221, 7235222, 7235223, 7235224, 7235225, 7235226 via cif-deposit CGI script.	7235224.cif