Crystallography Open Database

Information card for entry 2242841

Preview

Coordinates	2242841.cif
Structure factors	2242841.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	4-{(<i>E</i>)-2-[4-(Dimethylamino)phenyl]ethenyl}-1-phenyl-1λ^5^-pyridin-\ 1-ylium hexafluoro-λ^6^-phosphane
Formula	C21 H21 F6 N2 P
Calculated formula	C21 H21 F6 N2 P
SMILES	c1ccccc1[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Crystal structure determination of two pyridine derivatives: 4-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane
Authors of publication	Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P.
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	2
Pages of publication	288 - 291
a	19.4596 ± 0.0014 Å
b	10.7416 ± 0.0008 Å
c	11.9654 ± 0.0009 Å
α	90°
β	125.864 ± 0.002°
γ	90°
Cell volume	2026.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.2034
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
213445 (current)	2019-02-02	cif/ hkl/ Adding structures of 2242840, 2242841 via cif-deposit CGI script.	2242841.cif 2242841.hkl