Crystallography Open Database

Information card for entry 1517283

Preview

Coordinates	1517283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 N O2 Si
Calculated formula	C21 H29 N O2 Si
SMILES	[Si](O[C@H]1CCC(=O)N[C@@H]1c1cc2ccccc2cc1)(C)(C)C(C)(C)C.[Si](O[C@@H]1CCC(=O)N[C@H]1c1cc2ccccc2cc1)(C)(C)C(C)(C)C
Title of publication	Diastereoconvergent Synthesis of trans-5-Hydroxy-6-Substituted-2-Piperidinones by Addition-Cyclization-Deprotection Process.
Authors of publication	Si, Chang-Mei; Huang, Wei; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	16
Pages of publication	4328 - 4331
a	14.9925 ± 0.0014 Å
b	10.25 ± 0.0009 Å
c	14.5255 ± 0.0013 Å
α	90°
β	114.65 ± 0.002°
γ	90°
Cell volume	2028.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1517283.cif
123111	2014-09-06	cif/ Updating files of 1517283 Original log message: Adding full bibliography for 1517283.cif.	1517283.cif
121089	2014-08-02	cif/ Adding structures of 1517283 via cif-deposit CGI script.	1517283.cif