Crystallography Open Database

Information card for entry 7201350

7201349 << 7201350 >> 7201351

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Coordinates	7201350.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	17.373645 Å
b	7.198512 Å
c	11.622952 Å
α	90°
β	90°
γ	90°
Cell volume	1453.62 Å³
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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