Crystallography Open Database

Information card for entry 4071161

Preview

Coordinates	4071161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 Cl2 Sn
Calculated formula	C20 H34 Cl2 Sn
SMILES	[Sn](Cl)(Cl)(C[C@@H]1[C@H]2C([C@@H](CC1)C2)(C)C)C[C@@H]1[C@H]2C([C@@H](CC1)C2)(C)C
Title of publication	Optically Active Organotin Compounds Derived from β-Pinene. The Quest for Chiral Polystannanes†
Authors of publication	Beckmann, Jens; Duthie, Andrew; Grassmann, Marian; Semisch, Annetta
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1495
a	19.346 ± 0.005 Å
b	11.282 ± 0.003 Å
c	30.018 ± 0.007 Å
α	90°
β	102.351 ± 0.005°
γ	90°
Cell volume	6400 ± 3 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178600 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11.	4071161.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071161.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071161.cif
43077	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071160, 4071161 via cif-deposit CGI script.	4071161.cif