Crystallography Open Database

Information card for entry 7200086

7200085 << 7200086 >> 7200087

Preview

Coordinates	7200086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C32 H56 N8 O24
Title of publication	Predicting spontaneous racemate resolution using recent developments in crystal structure prediction
Authors of publication	Kendrick, John; Gourlay, Matthew D.; Neumann, Marcus A.; Leusen, Frank J. J.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2391 - 2399
a	6.62893 Å
b	17.195847 Å
c	9.105331 Å
α	90°
β	90°
γ	90°
Cell volume	1037.92 Å³
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Method of determination	theoretical
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/7200086.html