Crystallography Open Database

Information card for entry 7054614

Preview

Coordinates	7054614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N O2
Calculated formula	C16 H17 N O2
SMILES	Oc1ccccc1C/[NH+]=C/c1cc(cc(c1[O-])C)C
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	9.505 ± 0.0002 Å
b	11.258 ± 0.0002 Å
c	13.533 ± 0.0003 Å
α	90°
β	109.058 ± 0.001°
γ	90°
Cell volume	1368.76 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7054614.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.	7054614.cif
129415	2015-01-07	cif/ Adding structures of 7054610, 7054611, 7054612, 7054613, 7054614, 7054615, 7054616 via cif-deposit CGI script.	7054614.cif