Crystallography Open Database

Information card for entry 7150525

Preview

Coordinates	7150525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H54 O6 Si2
Calculated formula	C28 H54 O6 Si2
SMILES	C1[C@H]([C@@H]2CC[C@H]([C@@H](CC[C@@H]([C@@H]3CC[C@H]([C@@H]4CO4)O3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)O1
Title of publication	Synthesis of the non-adjacent bis-THF core of cis-sylvaticin using a double oxidative cyclisation.
Authors of publication	Bhunnoo, Riaz A; Hobbs, Heather; Lainé, Dramane I; Light, Mark E; Brown, Richard C D
Journal of publication	Organic & biomolecular chemistry
Year of publication	2009
Journal volume	7
Journal issue	5
Pages of publication	1017 - 1024
a	7.417 ± 0.005 Å
b	10.385 ± 0.005 Å
c	10.651 ± 0.005 Å
α	68.383 ± 0.005°
β	83.788 ± 0.005°
γ	82.9 ± 0.005°
Cell volume	755.1 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180291 (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 7/15/05.	7150525.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150525.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150525.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.	7150525.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150525.cif