Crystallography Open Database

Information card for entry 1506237

Preview

Coordinates	1506237.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	03097
Formula	C12 H19 N O4 Si
Calculated formula	C12 H19 N O4 Si
SMILES	[Si](C)(C)(C)O[C@@]12N(C(=O)C=C1)CC[C@H]2C(=O)OC.[Si](C)(C)(C)O[C@]12N(C(=O)C=C1)CC[C@@H]2C(=O)OC
Title of publication	Silylative Dieckmann-like cyclizations of ester-imides (and diesters).
Authors of publication	Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	23
Pages of publication	5191 - 5194
a	17.935 ± 0.004 Å
b	6.408 ± 0.001 Å
c	12.934 ± 0.003 Å
α	90°
β	99.607 ± 0.003°
γ	90°
Cell volume	1465.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.117
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.2
Weighted residual factors for all reflections included in the refinement	0.2115
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1506237.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506237.cif
48111	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506237, 1506238 via cif-deposit CGI script.	1506237.cif