Crystallography Open Database

Information card for entry 7055662

Preview

Coordinates	7055662.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(3-ammoniopropyl)-4-[(E)-2-(4-nitrophenyl)vinyl]pyridinium diperchlorate, hydrate
Formula	C16 H19.5 Cl2 N3 O10.25
Calculated formula	C16 H19 Cl2 N3 O10.25
Title of publication	Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes
Authors of publication	Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	9
Pages of publication	7542
a	16.3977 ± 0.0005 Å
b	8.3891 ± 0.0003 Å
c	29.1772 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4013.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0841
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
186459 (current)	2016-09-10	cif/ Updating files of 7055662, 7055663, 7055664, 7055665, 7055666 Original log message: Adding full bibliography for 7055662--7055666.cif.	7055662.cif
183876	2016-06-23	cif/ Adding structures of 7055662, 7055663, 7055664, 7055665, 7055666 via cif-deposit CGI script.	7055662.cif