Crystallography Open Database

Information card for entry 7200091

7200090 << 7200091 >> 7200092

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Coordinates	7200091.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	20.312165 Å
b	4.4709 Å
c	16.142517 Å
α	90°
β	135.133°
γ	90°
Cell volume	1034.18 Å³
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
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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