Crystallography Open Database

Information card for entry 4108397

Preview

Coordinates	4108397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N7 O2
Calculated formula	C12.6667 H19.3333 N4.66667 O6.67667
Title of publication	G^C Quartet - A DNA-Inspired Janus-GC Heterocycle: Synthesis, Structural Analysis, and Self-Organization
Authors of publication	Ali Asadi; Brian O. Patrick; David M. Perrin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12860 - 12861
a	28.263 ± 0.005 Å
b	8.5974 ± 0.0011 Å
c	19.975 ± 0.003 Å
α	90°
β	93.396 ± 0.005°
γ	90°
Cell volume	4845.2 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0608
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
178829 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/83.	4108397.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108397.cif
56751	2012-05-15	cif/ Adding structures of 4108397 via cif-deposit CGI script.	4108397.cif