Crystallography Open Database

Information card for entry 7201354

7201353 << 7201354 >> 7201355

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Coordinates	7201354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C128 H144 N16 O32
Title of publication	Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Authors of publication	Neumann, Marcus Aurelius; Perrin, Marc-Antoine
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2475
a	32.695239 Å
b	8.69746 Å
c	11.483048 Å
α	90°
β	115.104°
γ	90°
Cell volume	2956.93 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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