Crystallography Open Database

Information card for entry 4100189

Preview

Coordinates	4100189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H35 Br O6
Calculated formula	C33 H35 Br O6
SMILES	Brc1ccc(C(=O)OCc2cccc3OCC(=CC[C@]4([C@H](CC(=C(C(=O)c23)C4=O)OC)C)CC=C(C)C)C)cc1.Brc1ccc(C(=O)OCc2cccc3OCC(=CC[C@@]4([C@@H](CC(=C(C(=O)c23)C4=O)OC)C)CC=C(C)C)C)cc1
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	7.7032 ± 0.0011 Å
b	10.0741 ± 0.0014 Å
c	20.765 ± 0.003 Å
α	88.043 ± 0.003°
β	81.558 ± 0.003°
γ	69.923 ± 0.002°
Cell volume	1496.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
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/4100189.html