Crystallography Open Database

Information card for entry 4507474

Preview

Coordinates	4507474.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis-4-aminocyclohexanecarboxylic acid
Chemical name	cis-4-ammoniocyclohexanecarboxylate
Formula	C7 H13 N O2
Calculated formula	C7 H13 N O2
SMILES	[O-]C(=O)[C@H]1CC[C@@H]([NH3+])CC1
Title of publication	Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals ofcis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid
Authors of publication	Mora, Asiloé J.; Belandria, Lusbely M.; Ávila, Edward E.; Seijas, Luis E.; Delgado, Gerzon E.; Miró, Aira; Almeida, Rafael; Brunelli, Michela; Fitch, Andrew N.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	1849
a	13.5616 ± 0.00023 Å
b	6.24896 ± 0.0001 Å
c	9.80579 ± 0.00018 Å
α	90°
β	112.2 ± 0.0011°
γ	90°
Cell volume	769.4 ± 0.02 Å³
Cell temperature	373 K
Ambient diffraction temperature	373 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
RFsqd	0.11244
Goodness-of-fit parameter for all reflections	2.71
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.334971 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507474.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507474.cif
85523	2013-05-07	cif/ Adding structures of 4507474 via cif-deposit CGI script.	4507474.cif