Crystallography Open Database

Information card for entry 7201396

7201395 << 7201396 >> 7201397

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Coordinates	7201396.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	8.681329 Å
b	11.682004 Å
c	29.357681 Å
α	90°
β	90°
γ	90°
Cell volume	2977.32 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

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