Crystallography Open Database

Information card for entry 1549858

Preview

Coordinates	1549858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 Ir N O3
Calculated formula	C23 H26 Ir N O3
SMILES	[Ir]12345(OC(=O)C)([n]6c(O)cccc6c6ccccc16)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines
Authors of publication	Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	24
Pages of publication	6316
a	16.13031 ± 0.00015 Å
b	14.54437 ± 0.00012 Å
c	17.33703 ± 0.00017 Å
α	90°
β	90°
γ	90°
Cell volume	4067.36 ± 0.06 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0191
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0437
Weighted residual factors for all reflections included in the refinement	0.045
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
227954 (current)	2019-11-17	cif/ Updating files of 1549858 Original log message: Adding full bibliography for 1549858.cif.	1549858.cif
210200	2018-08-29	cif/ Adding structures of 1549858 via cif-deposit CGI script.	1549858.cif