Crystallography Open Database

Information card for entry 7151416

Preview

Coordinates	7151416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 O2 Si2
Calculated formula	C16 H24 O2 Si2
SMILES	[Si](C#CC1(O)C=CC(O)(C=C1)C#C[Si](C)(C)C)(C)(C)C
Title of publication	Synthesis of differentially protected/functionalised acetylenic building blocks from p-benzoquinone and their use in the synthesis of new enediynesElectronic supplementary information (ESI) available: 400 MHz 1H NMR and 13C NMR spectra. See http://www.rsc.org/suppdata/ob/b3/b302323k/
Authors of publication	Sankararaman, Sethuraman; Srinivasan, Manivannan
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2003
Journal volume	1
Journal issue	13
Pages of publication	2388
a	12.818 ± 0.007 Å
b	10.012 ± 0.005 Å
c	29.263 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	3755 ± 3 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.159
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	0.846
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
180300 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/14.	7151416.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151416.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151416.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.	7151416.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/.	7151416.cif