Crystallography Open Database

Information card for entry 7211453

Preview

Coordinates	7211453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 N6 O8
Calculated formula	C48 H38 N6 O8
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	9.118 ± 0.003 Å
b	12.291 ± 0.004 Å
c	20.327 ± 0.006 Å
α	82.842 ± 0.006°
β	79.34 ± 0.006°
γ	75.048 ± 0.005°
Cell volume	2155.8 ± 1.2 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	0.1649
Residual factor for significantly intense reflections	0.1185
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.2539
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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/7211453.html