Crystallography Open Database

Information card for entry 7201388

7201387 << 7201388 >> 7201389

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Coordinates	7201388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C32 H36 N4 O8
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	8.709252 Å
b	9.567842 Å
c	9.913097 Å
α	107.469°
β	106.669°
γ	73.0867°
Cell volume	735.631 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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