Crystallography Open Database

Information card for entry 4066899

Preview

Coordinates	4066899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Cl N P
Calculated formula	C19 H19 Cl N P
SMILES	[Cl-].[P+](Nc1ccccc1)(C)(c1ccccc1)c1ccccc1
Title of publication	Facile Synthesis of Bifunctional Ligands using LiCH2PPh2═NPh Obtained from [PhNH−PPh3+][Br−]
Authors of publication	Cao, Thi-Phuong-Anh; Payet, Elina; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	17
Pages of publication	3991
a	9.362 ± 0.001 Å
b	10.198 ± 0.001 Å
c	18.283 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1745.5 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.078
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1909
Weighted residual factors for all reflections included in the refinement	0.2011
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178560 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/68.	4066899.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066899.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066899.cif
34017	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066899, 4066900, 4066901 via cif-deposit CGI script.	4066899.cif