Crystallography Open Database

Information card for entry 1503429

Preview

Coordinates	1503429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H10 F20 N4
Calculated formula	C44 H10 F20 N4
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	13.3905 ± 0.0007 Å
b	14.3534 ± 0.0007 Å
c	14.7139 ± 0.0007 Å
α	89.899 ± 0.003°
β	88.145 ± 0.003°
γ	87.412 ± 0.003°
Cell volume	2823.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1109
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.2127
Weighted residual factors for all reflections included in the refinement	0.2428
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1503429.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503429.cif
37300	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503429 via cif-deposit CGI script.	1503429.cif