Crystallography Open Database

Information card for entry 1502130

Preview

Coordinates	1502130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H68 Cu4 N20 O28
Calculated formula	C92 H68 Cu4 N20 O28
Title of publication	Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.
Authors of publication	Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	2260 - 2262
a	30.119 ± 0.004 Å
b	20.405 ± 0.003 Å
c	16.284 ± 0.0017 Å
α	90°
β	100.895 ± 0.005°
γ	90°
Cell volume	9827 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.2543
Weighted residual factors for all reflections included in the refinement	0.2662
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	1502130.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502130.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502130.cif
35448	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502130 via cif-deposit CGI script.	1502130.cif