Crystallography Open Database

Information card for entry 7116065

Preview

Coordinates	7116065.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(bpep)2(res)2
Chemical name	1,3-bis(trans-4-pyridylethenyl)pyridine resorcinol tetrahydrofuran solvate
Formula	C54 H50 N6 O5
Calculated formula	C54 H50 N6 O5
Title of publication	In situ Raman monitoring of [2+2] cycloaddition of pyridine substituted olefins induced by visible laser
Authors of publication	Dengtai Chen; Xijiang Han; Wen Jin; Yunchen Du; Ping Xu
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15631
a	13.274 ± 0.005 Å
b	13.86 ± 0.005 Å
c	15.867 ± 0.006 Å
α	66.711 ± 0.003°
β	69.574 ± 0.004°
γ	66.077 ± 0.003°
Cell volume	2388.3 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1743
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116065.cif
128997	2014-12-22	cif/ Adding structures of 7116065, 7116066 via cif-deposit CGI script.	7116065.cif