Crystallography Open Database

Information card for entry 7200073

7200072 << 7200073 >> 7200074

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Coordinates	7200073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C8 H14 N2 O6
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	7.920844 Å
b	4.628773 Å
c	7.26447 Å
α	73.7964°
β	88.4828°
γ	89.5914°
Cell volume	255.673 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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