Crystallography Open Database

Information card for entry 4025484

Preview

Coordinates	4025484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 N2 O4 S2
Calculated formula	C24 H32 N2 O4 S2
Title of publication	N,N'-Diarylsquaramides: General, High-Yielding Synthesis and Applications in Colorimetric Anion Sensing
Authors of publication	Ali Rostami; Alexis Colin; Xiao Yu Li; Michael G. Chudzinski; Alan J. Lough; Mark S. Taylor
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	3983 - 3992
a	4.9867 ± 0.0005 Å
b	18.6517 ± 0.0015 Å
c	13.546 ± 0.0012 Å
α	90°
β	97.4 ± 0.004°
γ	90°
Cell volume	1249.4 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1474
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025484.html