Crystallography Open Database

Information card for entry 4109693

Preview

Coordinates	4109693.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[Si](C(C)(C)C)(C)C)[C@H]([C@@H](O)[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	6.6816 ± 0.0005 Å
b	7.5785 ± 0.0007 Å
c	25.49 ± 0.002 Å
α	87.798 ± 0.005°
β	86.717 ± 0.006°
γ	64.962 ± 0.005°
Cell volume	1167.37 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.203
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4109693.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109693.cif
58470	2012-05-28	cif/ Adding structures of 4109693 via cif-deposit CGI script.	4109693.cif