Crystallography Open Database

Information card for entry 7231086

Preview

Coordinates	7231086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N2
Calculated formula	C20 H14 N2
Title of publication	Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors
Authors of publication	Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	31
Pages of publication	4463
a	19.954 ± 0.003 Å
b	9.7592 ± 0.0012 Å
c	7.2875 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1419.1 ± 0.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229083 (current)	2019-11-17	cif/ Updating files of 7231086, 7231087, 7231088, 7231089, 7231090, 7231091 Original log message: Adding full bibliography for 7231086--7231091.cif.	7231086.cif
208864	2018-07-06	cif/ Adding structures of 7231086, 7231087, 7231088, 7231089, 7231090, 7231091 via cif-deposit CGI script.	7231086.cif