Crystallography Open Database

Information card for entry 4071160

Preview

Coordinates	4071160.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]1CC[C@@H]2C([C@H]1C2)(C)C)C[C@@H]1CC[C@H]2C[C@@H]1C2(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	6.9891 ± 0.0008 Å
b	15.683 ± 0.002 Å
c	19.816 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2172 ± 0.5 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 K
Number of distinct elements	4
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	0.0734
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4071160.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071160.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071160.cif
43077	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071160, 4071161 via cif-deposit CGI script.	4071160.cif