Crystallography Open Database

Information card for entry 7232198

Preview

Coordinates	7232198.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-aminobenzoic acid
Formula	C7 H7 N O2
Calculated formula	C7 H7 N O2
Title of publication	Discovery and recovery of delta p-aminobenzoic acid
Authors of publication	Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	13
Pages of publication	2058
a	6.4551 ± 0.0005 Å
b	4.674 ± 0.0004 Å
c	10.547 ± 0.0009 Å
α	90°
β	100.754 ± 0.003°
γ	90°
Cell volume	312.63 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.82 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
223640 (current)	2019-11-07	cif/ Updating files of 7232195, 7232196, 7232197, 7232198, 7232199 Original log message: Adding full bibliography for 7232195--7232199.cif.	7232198.cif
213243	2019-01-22	cif/ Adding structures of 7232195, 7232196, 7232197, 7232198, 7232199 via cif-deposit CGI script.	7232198.cif