Crystallography Open Database

Information card for entry 7201372

7201371 << 7201372 >> 7201373

Preview

Coordinates	7201372.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	9.239517 Å
b	17.412312 Å
c	9.231196 Å
α	90°
β	77.9244°
γ	90°
Cell volume	1452.27 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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7201372.html