Crystallography Open Database

Information card for entry 1507462

Preview

Coordinates	1507462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 Cl4 Ir N O
Calculated formula	C25 H30 Cl4 Ir N O
SMILES	[Ir]12345(Cl)(OCC([NH2]1)(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.ClC(Cl)Cl
Title of publication	Mild and Chemoselective Synthesis of Lactones from Diols Using a Novel Metal−Ligand Bifunctional Catalyst
Authors of publication	Suzuki, Takeyuki; Morita, Kenji; Tsuchida, Mika; Hiroi, Kunio
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	14
Pages of publication	2361
a	13.2705 ± 0.0006 Å
b	12.1408 ± 0.0005 Å
c	15.91 ± 0.001 Å
α	90°
β	97.531 ± 0.002°
γ	90°
Cell volume	2541.2 ± 0.2 Å³
Cell temperature	103.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.7107 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.	1507462.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507462.cif
53983	2012-04-20	cif/ Adding structures of 1507462 via cif-deposit CGI script.	1507462.cif