Crystallography Open Database

Information card for entry 4020884

4020883 << 4020884 >> 4020885

Preview

Coordinates	4020884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 N4 O
Calculated formula	C15 H24 N4 O
SMILES	N12CCCC[C@@H]1[C@H]1C[C@@H](C2)[C@H]2[C@@]31N(N=N2)CCCCO3.N12CCCC[C@H]1[C@@H]1C[C@H](C2)[C@@H]2[C@]31N(N=N2)CCCCO3
Title of publication	Base-Promoted Reactions of Bridged Ketones and 1,3- and 1,4-Haloalkyl Azides: Competitive Alkylation vs Azidation Reactions of Ketone Enolates
Authors of publication	Lei Yao; Brenton T. Smith; Jeffrey Aubé
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	1720 - 1722
a	15.3827 ± 0.0007 Å
b	7.0604 ± 0.0003 Å
c	12.8704 ± 0.0006 Å
α	90°
β	91.103 ± 0.001°
γ	90°
Cell volume	1397.57 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178386 (current)	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 4/02/08.	4020884.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4020884.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4020884.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.	4020884.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.	4020884.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/'	4020884.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4020884.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.	4020884.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)	4020884.cif