Crystallography Open Database

Information card for entry 4020044

4020043 << 4020044 >> 4020045

Preview

Coordinates	4020044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H104 O26
Calculated formula	C78 H98 O26
Title of publication	Synthesis of a Symmetric Cylindrical Bis(crown ether) Host and Its Complexation with Paraquat
Authors of publication	Huang, Feihe; Zakharov, Lev N.; Rheingold, Arnold L.; Ashraf-Khorassani, Mehdi
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	809 - 813
a	17.5307 ± 0.0015 Å
b	17.4709 ± 0.0015 Å
c	25.626 ± 0.002 Å
α	90°
β	105.381 ± 0.001°
γ	90°
Cell volume	7567.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0818
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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/4020044.html