Crystallography Open Database

Information card for entry 4020309

4020308 << 4020309 >> 4020310

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Coordinates	4020309.cif
Original paper (by DOI)	HTML
External links	ChemSpider

Structure parameters

Formula	C31 H56 O6 Si
Calculated formula	C31 H56 O6 Si
SMILES	[C@@H]12C[C@@H]([C@@H](C)[C@H](CC(=O)O[C@@H](C([C@@H](C[C@H]([C@@H](C(=C)C2)O)C)O)(C)C)C=C)O1)O[Si](C(C)C)(C(C)C)C(C)C
Authors of publication	Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	5449 - 5460
a	22.109 ± 0.001 Å
b	8.375 ± 0.001 Å
c	19.32 ± 0.001 Å
α	90°
β	103.04 ± 0.01°
γ	90°
Cell volume	3485.1 ± 0.5 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4020309.cif
178381	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/03.	4020309.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4020309.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4020309.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4020309.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4020309.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4020309.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4020309.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4020309.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4020309.cif