Crystallography Open Database

Information card for entry 1504179

Preview

Coordinates	1504179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 Cl Cu0.5 N9 O2
Calculated formula	C28 H27 Cl Cu0.5 N9 O2
Title of publication	A highly active catalyst for Huisgen 1,3-dipolar cycloadditions based on the tris(triazolyl)methanol-Cu(I) structure.
Authors of publication	Ozçubukçu, Salih; Ozkal, Erhan; Jimeno, Ciril; Pericàs, Miquel A
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	20
Pages of publication	4680 - 4683
a	9.6706 ± 0.0004 Å
b	11.7736 ± 0.0005 Å
c	12.4516 ± 0.0005 Å
α	80.677 ± 0.002°
β	81.72 ± 0.002°
γ	81.309 ± 0.002°
Cell volume	1372.5 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	1504179.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504179.cif
39462	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504179 via cif-deposit CGI script.	1504179.cif