Crystallography Open Database

Information card for entry 7109219

Preview

Coordinates	7109219.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mattson 1839
Formula	C22 H25 F9 N4 O4 Pd S
Calculated formula	C22 H25 F9 N4 O4 Pd S
Title of publication	Internal Lewis acid assisted ureas: tunable hydrogen bond donor catalysts
Authors of publication	David M. Nickerson; Veronica V. Angeles; Tyler J. Auvil; Sonia S. Soa; Anita E. Mattson
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	4289
a	9.2657 ± 0.0001 Å
b	11.9222 ± 0.0001 Å
c	12.639 ± 0.0001 Å
α	91.959 ± 0.001°
β	105.176 ± 0.001°
γ	91.687 ± 0.001°
Cell volume	1345.65 ± 0.02 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 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	0.0333
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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