Crystallography Open Database

Information card for entry 4114203

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Structure parameters

Formula	C26 H37 N O3 Si
Calculated formula	C26 H37 N O3 Si
SMILES	[Si](O[C@@]1(OC(C)(C)C)[C@H](N([C@H]1C(C)C)C(=O)c1ccccc1)c1ccccc1)(C)(C)C
Title of publication	Electroreductive Intramolecular Coupling of Chiral α-Imino Esters: Stereoselective Synthesis of Mixed Ketals of cis-2,4-Disubstituted Azetidine-3-ones
Authors of publication	Naoki Kise; Hiroshi Ozaki; Noriaki Moriyama; Yasuo Kitagishi; Nasuo Ueda
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	11591 - 11596
a	10.3906 Å
b	9.6213 ± 0.0001 Å
c	13.4593 ± 0.0005 Å
α	90°
β	95.347 ± 0.002°
γ	90°
Cell volume	1339.69 ± 0.05 Å³
Cell temperature	296.1 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 significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4114203.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.	4114203.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114203.cif
67487	2012-09-26	cif/ Adding structures of 4114203 via cif-deposit CGI script.	4114203.cif