Crystallography Open Database

Information card for entry 4109158

Preview

Coordinates	4109158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H85 N2 O5 S Si8
Calculated formula	C42 H85 N2 O5 S Si8
SMILES	COc1ccc(cc1)S(=O)(=O)N/N=C1\CCCC[C@@H]1[C@@H](C[C@@H]([C@@H](C)c1ccccc1)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.COc1ccc(cc1)S(=O)(=O)N/N=C1\CCCC[C@H]1[C@H](C[C@H]([C@H](C)c1ccccc1)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	"Super Silyl" Group for Diastereoselective Sequential Reactions: Access to Complex Chiral Architecture in One Pot
Authors of publication	Matthew B. Boxer; Hisashi Yamamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2762 - 2763
a	21.62 ± 0.006 Å
b	21.642 ± 0.006 Å
c	25.73 ± 0.007 Å
α	87.146 ± 0.005°
β	67.582 ± 0.005°
γ	63.125 ± 0.005°
Cell volume	9817 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1816
Residual factor for significantly intense reflections	0.1069
Weighted residual factors for significantly intense reflections	0.2754
Weighted residual factors for all reflections included in the refinement	0.3077
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
178837 (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 4/10/91.	4109158.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109158.cif
57913	2012-05-23	cif/ Adding structures of 4109158 via cif-deposit CGI script.	4109158.cif