Crystallography Open Database

Information card for entry 4113373

Preview

Coordinates	4113373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Cl4 O2 Sn
Calculated formula	C15 H16 Cl4 O2 Sn
SMILES	[Sn]1(Cl)(Cl)(Cl)(Cl)[O](C)[C@H](c2ccccc2)[C@H]([OH]1)c1ccccc1
Title of publication	The Crystallographic Structure of a Lewis Acid-Assisted Chiral Brønsted Acid as an Enantioselective Protonation Reagent for Silyl Enol Ethers
Authors of publication	Kazuaki Ishihara; Daisuke Nakashima; Yukihiro Hiraiwa; Hisashi Yamamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	24 - 25
a	8.9736 ± 0.0005 Å
b	14.2108 ± 0.0008 Å
c	14.8927 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1899.15 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.018
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0441
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
178904 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/33.	4113373.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113373.cif
66603	2012-09-12	cif/ Adding structures of 4113373 via cif-deposit CGI script.	4113373.cif