Crystallography Open Database

Information card for entry 7036296

Preview

Coordinates	7036296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 N O P Sn
Calculated formula	C21 H32 N O P Sn
SMILES	[Sn](C)(C)(c1c([P@](=O)(N[C@@H](C)C(C)(C)C)c2ccccc2)cccc1)C
Title of publication	Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).
Authors of publication	Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	2008 - 2022
a	9.9935 ± 0.0014 Å
b	14.054 ± 0.002 Å
c	15.83 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2223.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0519
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176069 (current)	2016-02-05	cif/ Updating files of 7036296, 7036297, 7036298, 7036299 Original log message: Adding full bibliography for 7036296--7036299.cif.	7036296.cif
153752	2015-08-28	cif/ Adding structures of 7036296, 7036297, 7036298, 7036299 via cif-deposit CGI script.	7036296.cif