Crystallography Open Database

Information card for entry 7111843

Preview

Coordinates	7111843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N5 O2
Calculated formula	C20 H21 N5 O2
Title of publication	Supramolecular assembly in a Janus-type urea system
Authors of publication	Gareth O. Lloyd; Jonathan W. Steed
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1426
a	5.8615 ± 0.0002 Å
b	11.0671 ± 0.0004 Å
c	14.0882 ± 0.0005 Å
α	91.125 ± 0.001°
β	98.705 ± 0.001°
γ	97.008 ± 0.001°
Cell volume	895.95 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0777
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7111843.html