Crystallography Open Database

Information card for entry 1501921

1501920 << 1501921 >> 1501922

Preview

Coordinates	1501921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 Cl Cu N3
Calculated formula	C23 H29 Cl Cu N3
SMILES	[Cu](Cl)=C1N(N=N(=C1c1cc(cc(c1)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Copper(I) 1,2,3-triazol-5-ylidene complexes as efficient catalysts for click reactions of azides with alkynes.
Authors of publication	Nakamura, Tatsuhito; Terashima, Takahiro; Ogata, Kenichi; Fukuzawa, Shin-ichi
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	4
Pages of publication	620 - 623
a	10.3024 ± 0.0005 Å
b	16.7569 ± 0.0006 Å
c	13.4574 ± 0.0006 Å
α	90°
β	94.5651 ± 0.0012°
γ	90°
Cell volume	2315.87 ± 0.17 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.2407
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	1501921.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501921.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501921.cif
35262	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501921 via cif-deposit CGI script.	1501921.cif