Crystallography Open Database

Information card for entry 8100997

Preview

Coordinates	8100997.cif
External links	ChemSpider; PubChem

Structure parameters

Formula	C26 H46 O4 Si4
Calculated formula	C26 H46 O4 Si4
SMILES	[C@@]1([C@@H](c2cc3[C@H]([C@](Cc3cc2C1)(O)[Si](C)(C)C)C(=O)[Si](C)(C)C)C(=O)[Si](C)(C)C)(O)[Si](C)(C)C.[C@]1([C@H](c2cc3[C@@H]([C@@](Cc3cc2C1)(O)[Si](C)(C)C)C(=O)[Si](C)(C)C)C(=O)[Si](C)(C)C)(O)[Si](C)(C)C
Title of publication	Crystal structure of 1S,7S-bis(trimethylsilylcarbonyl)-2S,6S-dihydroxy- 2S,6S-bis(trimethylsilyl)-1,2,3,5,6,7hexahydro-s-indacene, C~26~H~46~O~4~Si~4~
Authors of publication	Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe; Portella, Charles
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	3
Pages of publication	363 - 364
a	13.8 ± 0.004 Å
b	20.598 ± 0.009 Å
c	22.405 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6368.7 ± 3.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8100997.cif
202018	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8100997.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100997.cif
103187	2014-02-27	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100997.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8100997.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100997.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.	8100997.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/'	8100997.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100997.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.	8100997.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)	8100997.cif