Crystallography Open Database

Information card for entry 7054613

Preview

Coordinates	7054613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N O2
Calculated formula	C14 H13 N O2
SMILES	[O-]c1ccccc1/C=[NH+]/Cc1ccccc1O
Title of publication	Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA
Authors of publication	Forder, Thomas R.; Jones, Matthew D.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	3
Pages of publication	1974
a	22.383 ± 0.0016 Å
b	5.781 ± 0.0005 Å
c	17.844 ± 0.0016 Å
α	90°
β	99.915 ± 0.004°
γ	90°
Cell volume	2274.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
180100 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/46.	7054613.cif
133456	2015-03-06	cif/ Updating files of 7054610, 7054611, 7054612, 7054613, 7054614, 7054615, 7054616 Original log message: Adding full bibliography for 7054610--7054616.cif.	7054613.cif
129415	2015-01-07	cif/ Adding structures of 7054610, 7054611, 7054612, 7054613, 7054614, 7054615, 7054616 via cif-deposit CGI script.	7054613.cif