Crystallography Open Database

Information card for entry 1516134

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Structure parameters

Formula	C19 H27 N O2 S Si
Calculated formula	C19 H27 N O2 S Si
SMILES	S(=O)(=O)(N[C@H]([Si](c1ccccc1)(C)C)c1ccccc1)C(C)(C)C
Title of publication	Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes.
Authors of publication	Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	11
Pages of publication	3028 - 3031
a	9.154 ± 0.003 Å
b	16.606 ± 0.005 Å
c	13.184 ± 0.004 Å
α	90°
β	91.919 ± 0.004°
γ	90°
Cell volume	2003 ± 1.1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
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	0.026
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1516134.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.	1516134.cif
119335	2014-07-05	cif/ Updating files of 1516134, 1516135 Original log message: Adding full bibliography for 1516134--1516135.cif.	1516134.cif
113909	2014-05-17	cif/ Adding structures of 1516134 via cif-deposit CGI script.	1516134.cif