Crystallography Open Database

Information card for entry 1506910

Preview

Structure parameters

Formula	C22 H39 N O2 Si2
Calculated formula	C22 H39 N O2 Si2
SMILES	C(=C\C(c1ccccc1)[Si](C)(C)C)(/[Si](C)(C)C)OC(=O)N(C(C)C)C(C)C
Title of publication	Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.
Authors of publication	Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	5
Pages of publication	783 - 786
a	21.838 ± 0.001 Å
b	9.844 ± 0.002 Å
c	12.235 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2630.2 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1506910.cif
176729	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.	1506910.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506910.cif
51539	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506910 via cif-deposit CGI script.	1506910.cif