Crystallography Open Database

Information card for entry 7201381

7201380 << 7201381 >> 7201382

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Coordinates	7201381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C64 H72 N8 O16
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	15.023329 Å
b	8.667135 Å
c	11.561773 Å
α	90°
β	90.2695°
γ	90°
Cell volume	1505.43 Å³
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 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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