Crystallography Open Database

Information card for entry 7207199

7207198 << 7207199 >> 7207200

Preview

Coordinates	7207199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N6 O9
Calculated formula	C27 H27 N6 O9
Title of publication	Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules
Authors of publication	Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	4
Pages of publication	1376
a	8.375 ± 0.004 Å
b	11.257 ± 0.005 Å
c	15.807 ± 0.006 Å
α	69.947 ± 0.007°
β	75.476 ± 0.007°
γ	84.278 ± 0.007°
Cell volume	1355 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0886
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1807
Weighted residual factors for all reflections included in the refinement	0.2101
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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/7207199.html