Crystallography Open Database

Information card for entry 7211449

Preview

Coordinates	7211449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N6 O7
Calculated formula	C34 H32 N6 O7
Title of publication	Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives
Authors of publication	Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	46
Pages of publication	10079
a	9.24 ± 0.004 Å
b	12.251 ± 0.005 Å
c	14.291 ± 0.006 Å
α	85.662 ± 0.007°
β	74.595 ± 0.006°
γ	75.064 ± 0.006°
Cell volume	1506.9 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.09
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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/7211449.html