Crystallography Open Database

Information card for entry 8100692

Preview

Coordinates	8100692.cif
External links	ChemSpider

Structure parameters

Formula	C15 H31 N O4 Si
Calculated formula	C15 H31 N O4 Si
SMILES	[Si](O[C@H]1CN(O)[C@@H]([C@@H]2OC(O[C@H]12)(C)C)C)(C)(C)C(C)(C)C
Title of publication	Crystal structure of (2R,3S,4S,5S)-5-(tert-butyldimethylsilyl)-3,4- isopropylidene-2-methylpiperidine-1,3,4,5-tetrol, C~15~H~31~NO~4~Si
Authors of publication	Pothier, Julien; Frey, Wolfgang; Jäger, Volker
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2002
Journal volume	217
Journal issue	3
Pages of publication	401 - 402
a	6.9205 ± 0.001 Å
b	22.156 ± 0.003 Å
c	25.351 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3887.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202018 (current)	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.	8100692.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100692.cif
103375	2014-03-04	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100692.cif
100680	2014-02-06	cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes.	8100692.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100692.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.	8100692.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/'	8100692.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100692.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.	8100692.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)	8100692.cif