Crystallography Open Database

Information card for entry 7151417

Preview

Coordinates	7151417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 O3 Si
Calculated formula	C27 H34 O3 Si
SMILES	[Si](OC1=C[C@H]2[C@@]34[C@@](C1)(CC(=C[C@@H]3CC2)C)C(=O)c1c(C4=O)cccc1)(C)(C)C(C)(C)C.[Si](OC1=C[C@@H]2[C@]34[C@](C1)(CC(=C[C@H]3CC2)C)C(=O)c1c(C4=O)cccc1)(C)(C)C(C)(C)C
Title of publication	An enantioselective double Diels?Alder approach to the tetracyclic framework of colombiasin AElectronic supplementary information (ESI) available: Detailed procedures for the preparation of all compounds and their spectral data. See http://www.rsc.org/suppdata/ob/b3/b302522e/
Authors of publication	Chaplin, Jason H.; Edwards, Alison J.; Flynn, Bernard L.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2003
Journal volume	1
Journal issue	11
Pages of publication	1842
a	12.9389 ± 0.0002 Å
b	11.7515 ± 0.0003 Å
c	16.957 ± 0.0004 Å
α	90°
β	111.055 ± 0.0008°
γ	90°
Cell volume	2406.2 ± 0.09 Å³
Cell temperature	200 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for all reflections included in the refinement	0.0409
Goodness-of-fit parameter for all reflections included in the refinement	1.0528
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7151417.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151417.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151417.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7151417.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7151417.cif