Crystallography Open Database

Information card for entry 7224121

Preview

Coordinates	7224121.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Pyrrolidine-1-yl-pyridine
Formula	C9 H12 N2
Calculated formula	C9 H12 N2
SMILES	n1ccc(N2CCCC2)cc1
Title of publication	Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object
Authors of publication	Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	1883
a	10.4951 ± 0.0007 Å
b	8.104 ± 0.0005 Å
c	18.3689 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1562.32 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
181605 (current)	2016-04-05	cif/ Updating files of 7224120, 7224121, 7224122 Original log message: Adding full bibliography for 7224120--7224122.cif.	7224121.cif
175721	2016-02-04	cif/ Adding structures of 7224120, 7224121, 7224122 via cif-deposit CGI script.	7224121.cif