Crystallography Open Database

Information card for entry 1507262

Preview

Coordinates	1507262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H27 Cl1.5 F6 N O P2 Pd S
Calculated formula	C26.5 H27 Cl1.5 F6 N O P2 Pd S
SMILES	[Pd]12([CH2]=[CH]1C2)[N](S(=O)C(C)(C)C)=Cc1c([P](c2ccccc2)c2ccccc2)cccc1.ClC(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Novel sulfinyl imine ligands for asymmetric catalysis.
Authors of publication	Schenkel, Laurie B.; Ellman, Jonathan A.
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	4
Pages of publication	545 - 548
a	17.061 ± 0.001 Å
b	9.5641 ± 0.0005 Å
c	20.408 ± 0.001 Å
α	90°
β	113.818 ± 0.001°
γ	90°
Cell volume	3046.4 ± 0.3 Å³
Cell temperature	155.2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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.	1507262.cif
135583	2015-05-05	cif/1-2: Fixing some formulae and Z values	1507262.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507262.cif
53775	2012-04-20	cif/ Adding structures of 1507262 via cif-deposit CGI script.	1507262.cif