Crystallography Open Database

Information card for entry 1507061

Preview

Coordinates	1507061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H62 N4 O8
Calculated formula	C60 H62 N4 O8
Title of publication	Pincer-porphyrin hybrids.
Authors of publication	Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	18
Pages of publication	3023 - 3026
a	14.0191 ± 0.0002 Å
b	9.9445 ± 0.0001 Å
c	18.9747 ± 0.0003 Å
α	90°
β	102.571 ± 0.0013°
γ	90°
Cell volume	2581.9 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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.	1507061.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507061.cif
51647	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507061, 1507062 via cif-deposit CGI script.	1507061.cif