Crystallography Open Database

Information card for entry 7232758

Preview

Coordinates	7232758.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	acetaminophen
Formula	C8 H9 N O2
Calculated formula	C8 H9 N O2
Title of publication	Antisolvent addition at extreme conditions
Authors of publication	Ward, Martin R.; Oswald, Iain D. H.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	30
Pages of publication	4437
a	17.1522 ± 0.0005 Å
b	11.8201 ± 0.0004 Å
c	7.3985 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1499.98 ± 0.08 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0585
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223671 (current)	2019-11-07	cif/ Updating files of 7232755, 7232756, 7232757, 7232758, 7232759 Original log message: Adding full bibliography for 7232755--7232759.cif.	7232758.cif
215025	2019-05-10	cif/ Adding structures of 7232755, 7232756, 7232757, 7232758, 7232759 via cif-deposit CGI script.	7232758.cif