Crystallography Open Database

Information card for entry 7200058

7200057 << 7200058 >> 7200059

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Coordinates	7200058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C16 H28 N4 O12
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	7.888104 Å
b	4.857491 Å
c	13.776099 Å
α	90°
β	90°
γ	90°
Cell volume	527.85 Å³
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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