Crystallography Open Database

Information card for entry 4020248

4020247 << 4020248 >> 4020249

Preview

Coordinates	4020248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H45 N O14
Calculated formula	C37 H45 N O14
SMILES	c1cc2C(=O)OCc3cc4cc(OCCOCCOCCOCCOc5cc(COC(=O)c(n2)c1)cc(c5)OCCOCCOCCOCCO4)c3
Title of publication	Cryptands, Powerful Hosts for Paraquat Derivatives
Authors of publication	Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	3231 - 3241
a	17.688 ± 0.003 Å
b	11.184 ± 0.002 Å
c	18.034 ± 0.005 Å
α	90°
β	96.03 ± 0.014°
γ	90°
Cell volume	3547.9 ± 1.8 Å³
Cell temperature	241 ± 2 K
Ambient diffraction temperature	241 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4020248.html