Crystallography Open Database

Information card for entry 4022244

Preview

Coordinates	4022244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 N8 O12
Calculated formula	C42 H48 N8 O12
Title of publication	Methylene-Bridged Glycoluril Dimers: Synthetic Methods
Authors of publication	Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs
Journal of publication	Journal of Organic Chemistry
Year of publication	2002
Journal volume	67
Pages of publication	5817 - 5830
a	20.9952 ± 0.0017 Å
b	16.8963 ± 0.0013 Å
c	11.947 ± 0.0009 Å
α	90°
β	105.506 ± 0.002°
γ	90°
Cell volume	4083.8 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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/4022244.html