Crystallography Open Database

Information card for entry 8100990

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Coordinates	8100990.cif
External links	ChemSpider

Structure parameters

Formula	C14 H21 N3 O Si
Calculated formula	C14 H21 N3 O Si
SMILES	[Si]([C@@H]1[C@H](O)Cc2c(N3N=NC[C@@H]13)cccc2)(C)(C)C
Title of publication	Crystal structure of (3aS,4S,5R)-4-trimethylsilyl-3a,4,5,6-tetrahydro- 3H-1,2,10b-triaza-benzo[e]azulen-5-ol, C~14~H~21~N~3~OSi
Authors of publication	Ducray, Richard; Grosvalet, Laurent; Ciufolini, Marco A.; Perrin, Monique
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	3
Pages of publication	347 - 348
a	7.946 ± 0.0016 Å
b	12.255 ± 0.003 Å
c	15.389 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1498.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
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.	8100990.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100990.cif
103187	2014-02-27	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100990.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8100990.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100990.cif
1112	2010-04-19	Fixed tags from unrecognised-tag.lst	8100990.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.	8100990.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/'	8100990.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100990.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.	8100990.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)	8100990.cif