Crystallography Open Database

Information card for entry 7230299

Preview

Coordinates	7230299.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Acetaminophen
Formula	C8 H9 N O2
Calculated formula	C8 H9 N O2
Title of publication	SURMOF induced polymorphism and crystal morphological engineering of acetaminophen polymorphs: advantage of heterogeneous nucleation
Authors of publication	Bolla, Geetha; Myerson, Allan S.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	15
Pages of publication	2084
a	11.7678 ± 0.0007 Å
b	7.1966 ± 0.0005 Å
c	17.1615 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1453.38 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.05 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229097 (current)	2019-11-17	cif/ Updating files of 7230299 Original log message: Adding full bibliography for 7230299.cif.	7230299.cif
206954	2018-03-15	cif/ Adding structures of 7230299 via cif-deposit CGI script.	7230299.cif