Crystallography Open Database

Information card for entry 1503430

Preview

Coordinates	1503430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H62 Cl2 N4 O6
Calculated formula	C66 H62 Cl2 N4 O6
Title of publication	Efficient synthesis of hangman porphyrins.
Authors of publication	Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	5
Pages of publication	1036 - 1039
a	13.2763 ± 0.0014 Å
b	13.5303 ± 0.0014 Å
c	17.55 ± 0.0018 Å
α	68.543 ± 0.002°
β	89.669 ± 0.002°
γ	72.898 ± 0.002°
Cell volume	2785.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1955
Weighted residual factors for all reflections included in the refinement	0.2279
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503430.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503430.cif
37301	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503430 via cif-deposit CGI script.	1503430.cif