Crystallography Open Database

Information card for entry 7120524

7120523 << 7120524 >> 7120525

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Coordinates	7120524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 N O3 P Pd S
Calculated formula	C22 H34 N O3 P Pd S
SMILES	[Pd]1([P](C)(C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C)[NH2]c2c(c3c1cccc3)cccc2
Title of publication	Spectroscopic Characterization of Diiodomethylzinc Iodide: Application to the Stereoselective Synthesis and Functionalization of Iodocyclopropanes
Authors of publication	Allouche, Emmanuelle M. D.; Taillemaud, Sylvain; Charette, André B.
Journal of publication	Chem. Commun.
Year of publication	2017
a	9.1931 ± 0.0005 Å
b	11.6107 ± 0.0006 Å
c	12.2025 ± 0.0006 Å
α	76.78 ± 0.002°
β	86.549 ± 0.002°
γ	67.313 ± 0.002°
Cell volume	1169.28 ± 0.11 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
199626 (current)	2017-08-08	cif/ Adding structures of 7120524 via cif-deposit CGI script.	7120524.cif