Crystallography Open Database

Information card for entry 7201349

7201348 << 7201349 >> 7201350

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Coordinates	7201349.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	6.972356 Å
b	9.147506 Å
c	12.811115 Å
α	90°
β	66.138°
γ	90°
Cell volume	747.246 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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