Crystallography Open Database

Information card for entry 1514366

Preview

Coordinates	1514366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H34 O4 Si
Calculated formula	C21 H34 O4 Si
SMILES	[Si](O[C@H]1[C@@]2(Oc3c1cccc3)OCCC[C@H]2O)(C(C)C)(C(C)C)C(C)C.[Si](O[C@@H]1[C@]2(Oc3c1cccc3)OCCC[C@@H]2O)(C(C)C)(C(C)C)C(C)C
Title of publication	Solvent-Dependent Divergent Functions of Sc(OTf)3 in Stereoselective Epoxide-Opening Spiroketalizations.
Authors of publication	Sharma, Indrajeet; Wurst, Jacqueline M.; Tan, Derek S.
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	9
Pages of publication	2474 - 2477
a	9.076 ± 0.0007 Å
b	10.7759 ± 0.0008 Å
c	11.1491 ± 0.0008 Å
α	80.423 ± 0.004°
β	84.426 ± 0.004°
γ	74.609 ± 0.004°
Cell volume	1035.04 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514366.cif
112815	2014-05-04	cif/ Updating files of 1514366 Original log message: Adding full bibliography for 1514366.cif.	1514366.cif
109988	2014-04-18	cif/ Adding structures of 1514366 via cif-deposit CGI script.	1514366.cif