Crystallography Open Database

Information card for entry 4030369

Preview

Coordinates	4030369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H27 N5 Ni O2
Calculated formula	C44 H27 N5 Ni O2
Title of publication	Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.
Authors of publication	Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	80
Journal issue	1
Pages of publication	499
a	15.424 ± 0.002 Å
b	15.424 ± 0.002 Å
c	13.692 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3257.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1318
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178482 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03.	4030369.cif
130748	2015-02-04	cif/ Updating files of 4030367, 4030368, 4030369, 4030370 Original log message: Adding full bibliography for 4030367--4030370.cif.	4030369.cif
128955	2014-12-21	cif/ Adding structures of 4030367, 4030368, 4030369, 4030370 via cif-deposit CGI script.	4030369.cif