Crystallography Open Database

Information card for entry 4107960

Preview

Coordinates	4107960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H56 Cl4 O3 Sn
Calculated formula	C37 H56 Cl4 O3 Sn
Title of publication	Catalytic Enantioselective Allyl- and Crotylboration of Aldehydes Using Chiral Diol.SnCl4 Complexes. Optimization, Substrate Scope and Mechanistic Investigations
Authors of publication	Vivek Rauniyar; Huimin Zhai; Dennis G. Hall
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	8481 - 8490
a	9.9594 ± 0.0007 Å
b	12.2807 ± 0.0008 Å
c	31.266 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3824.1 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.035
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178825 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/79.	4107960.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107960.cif
56287	2012-05-10	cif/ Adding structures of 4107960 via cif-deposit CGI script.	4107960.cif