Crystallography Open Database

Information card for entry 4505157

Preview

Coordinates	4505157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 N4 O3 S
Calculated formula	C10 H15 N4 O3 S
Title of publication	Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks
Authors of publication	Custelcean, Radu; Ward, Michael D.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	6
Pages of publication	2277
a	7.4632 ± 0.0015 Å
b	12.587 ± 0.003 Å
c	29.788 ± 0.006 Å
α	90°
β	93.983 ± 0.004°
γ	90°
Cell volume	2791.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0656
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
179586 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/51.	4505157.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505157.cif
50185	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505157 via cif-deposit CGI script.	4505157.cif