Crystallography Open Database

Information card for entry 4109692

Preview

Coordinates	4109692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H34 O4 S Si
Calculated formula	C21 H34 O4 S Si
SMILES	S(=O)(=O)(C1=CC[C@H](O)[C@@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1C)C)c1ccccc1
Title of publication	Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads
Authors of publication	Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9086 - 9093
a	6.7613 ± 0.0008 Å
b	11.2542 ± 0.0017 Å
c	15.2264 ± 0.001 Å
α	90°
β	93.112 ± 0.006°
γ	90°
Cell volume	1156.9 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109692.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109692.cif
58469	2012-05-28	cif/ Adding structures of 4109692 via cif-deposit CGI script.	4109692.cif