Crystallography Open Database

Information card for entry 7052948

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Coordinates	7052948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N6 O9
Calculated formula	C27 H27 N6 O9
Title of publication	A cyanurate gel derived from two different hydrogen-bonding interactions in a binary system: evidence for the driving forces in gel formation
Authors of publication	Jung, Sung Ho; Lee, Hyejin; Park, Sunhong; Jung, Jong Hwa
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	10
Pages of publication	1957
a	8.3257 ± 0.0007 Å
b	11.2037 ± 0.0009 Å
c	15.5132 ± 0.0013 Å
α	70.668 ± 0.004°
β	75.604 ± 0.004°
γ	84.442 ± 0.004°
Cell volume	1322.42 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0549
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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