Crystallography Open Database

Information card for entry 1506043

Preview

Coordinates	1506043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H39 F8 N6 O4
Calculated formula	C40.04 H35 F8 N6 O4
Title of publication	Efficient microwave-assisted synthesis of amine-substituted tetrakis(pentafluorophenyl)porphyrin.
Authors of publication	Samaroo, Diana; Soll, Clifford E.; Todaro, Louis J.; Drain, Charles M.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	22
Pages of publication	4985 - 4988
a	10.75 ± 0.002 Å
b	10.912 ± 0.002 Å
c	17.685 ± 0.004 Å
α	91.03 ± 0.03°
β	104.31 ± 0.03°
γ	107.76 ± 0.03°
Cell volume	1904.5 ± 0.8 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 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	0.1233
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506043.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506043.cif
47949	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506043 via cif-deposit CGI script.	1506043.cif