Crystallography Open Database

Information card for entry 1503353

Preview

Coordinates	1503353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 N O2 P
Calculated formula	C19 H24 N O2 P
SMILES	[P@@](=O)(N(C(C)C)C(C)C)(c1ccccc1)c1ccccc1C=O
Title of publication	Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands.
Authors of publication	Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	428 - 431
a	7.5789 ± 0.0001 Å
b	15.4126 ± 0.0002 Å
c	15.8221 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1848.19 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503353.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503353.cif
37228	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503353 via cif-deposit CGI script.	1503353.cif