Crystallography Open Database

Information card for entry 4025023

Preview

Coordinates	4025023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H55 N5
Calculated formula	C56 H41 N5
Title of publication	Regioselective Amination of Carbaporpholactone and N-Confused Porphyrin
Authors of publication	Norbert Grzegorzek; Miłosz Pawlicki; Lechosław Latos-Grażyński
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	8547 - 8553
a	9.964 ± 0.002 Å
b	14.502 ± 0.003 Å
c	16.876 ± 0.003 Å
α	75.86 ± 0.03°
β	79.25 ± 0.03°
γ	75.07 ± 0.03°
Cell volume	2264.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178429 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/50.	4025023.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4025023.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025023.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4025023.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4025023.cif