Crystallography Open Database

Information card for entry 1546575

Preview

Coordinates	1546575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N5 O2
Calculated formula	C18 H22 N5 O2
Title of publication	Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles
Authors of publication	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.
Journal of publication	Faraday Discuss.
Year of publication	2017
a	5.2936 ± 0.0003 Å
b	7.9437 ± 0.0005 Å
c	22.8847 ± 0.0013 Å
α	81.583 ± 0.005°
β	85.5 ± 0.006°
γ	70.615 ± 0.005°
Cell volume	897.53 ± 0.1 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	0.0973
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
198878 (current)	2017-07-21	cif/ Adding structures of 1546564, 1546565, 1546566, 1546567, 1546568, 1546569, 1546570, 1546571, 1546572, 1546573, 1546574, 1546575, 1546576, 1546577, 1546578, 1546579, 1546580 via cif-deposit CGI script.	1546575.cif