Crystallography Open Database

Information card for entry 1505971

Preview

Coordinates	1505971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 N O2 Si2
Calculated formula	C20 H35 N O2 Si2
SMILES	[Si](O[C@H]1NC(=O)[C@H]([C@@]1([Si](C)(C)c1ccccc1)C)C)(C)(C)C(C)(C)C.[Si](O[C@@H]1NC(=O)[C@@H]([C@]1([Si](C)(C)c1ccccc1)C)C)(C)(C)C(C)(C)C
Title of publication	Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.
Authors of publication	Romero, Antonio; Woerpel, K. A.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	10
Pages of publication	2127 - 2130
a	6.9889 ± 0.001 Å
b	12.7368 ± 0.0019 Å
c	14.102 ± 0.002 Å
α	114.04 ± 0.002°
β	99.928 ± 0.003°
γ	93.764 ± 0.002°
Cell volume	1116.3 ± 0.3 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	1505971.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	1505971.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505971.cif
47895	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505971 via cif-deposit CGI script.	1505971.cif