Crystallography Open Database

Information card for entry 4024803

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Coordinates	4024803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 N4 O
Calculated formula	C17 H22 N4 O
Title of publication	"Wurster-Type" Ureas as Redox-Active Receptors for Anions
Authors of publication	John P. Clare; Anna Statnikov; Vincent Lynch; Andrew L. Sargent; John W. Sibert
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	6637 - 6646
a	36.9809 ± 0.0013 Å
b	9.4549 ± 0.0007 Å
c	21.9873 ± 0.0011 Å
α	90°
β	126.232 ± 0.002°
γ	90°
Cell volume	6201.3 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1842
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.2281
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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