Crystallography Open Database

Information card for entry 4109060

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Structure parameters

Formula	C19 H33 N O4 Si
Calculated formula	C19 H33 N O4 Si
SMILES	[Si](CC[C@](C#N)(C(=O)OC(C)(C)C)/C=C/C(=O)OC(C)(C)C)(C)(C)C
Title of publication	New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters
Authors of publication	Xisheng Wang; Masanori Kitamura; Keiji Maruoka
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1038 - 1039
a	6.32501 ± 0.00011 Å
b	15.6014 ± 0.0003 Å
c	22.1928 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2189.96 ± 0.07 Å³
Cell temperature	133.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4109060.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109060.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109060.cif
57811	2012-05-21	cif/ Adding structures of 4109060 via cif-deposit CGI script.	4109060.cif