Crystallography Open Database

Information card for entry 1503918

Preview

Coordinates	1503918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H27 N3 O4 Os
Calculated formula	C14 H27 N3 O4 Os
SMILES	[Os]12(N3[C@@H]4[C@@H](CCC[C@@H]4CC3=O)O2)([N](C)(CC[N]1(C)C)C)(=O)=O.[Os]12(N3[C@H]4[C@H](CCC[C@H]4CC3=O)O2)([N](C)(CC[N]1(C)C)C)(=O)=O
Title of publication	Tethered aminohydroxylation (TA) reaction of amides.
Authors of publication	Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2305 - 2307
a	11.2229 ± 0.0002 Å
b	22.1408 ± 0.0004 Å
c	7.3452 ± 0.0001 Å
α	90°
β	116.176 ± 0.0009°
γ	90°
Cell volume	1637.98 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for all reflections	0.0584
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	0.9614
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503918.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 {}'	1503918.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503918.cif
39189	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503908, 1503909, 1503910, 1503911, 1503912, 1503913, 1503914, 1503915, 1503916, 1503917, 1503918 via cif-deposit CGI script.	1503918.cif