Crystallography Open Database

Information card for entry 1503419

Preview

Coordinates	1503419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 O2 Si
Calculated formula	C26 H46 O2 Si
SMILES	[Si](O[C@@H]1[C@H]2C(=O)[C@H]([C@@H](CC=C(CCC=C1C)C)C[C@@H]2C(C)C)C)(C)(C)C(C)(C)C
Title of publication	Enantiospecific synthesis of the cubitane skeleton.
Authors of publication	Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	784 - 787
a	24.0276 ± 0.0008 Å
b	15.7652 ± 0.0005 Å
c	6.8485 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2594.21 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1503419.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 {}'	1503419.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503419.cif
37290	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503419 via cif-deposit CGI script.	1503419.cif