Crystallography Open Database

Information card for entry 2010431

2010430 << 2010431 >> 2010432

Preview

Coordinates	2010431.cif
Original IUCr paper	HTML

Structure parameters

Formula	C7 H13 N3 O3
Calculated formula	C7 H13 N3 O3
SMILES	O=C(N[C@H](C(=O)N)C)CNC(=O)C
Title of publication	N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide
Authors of publication	Puliti, Raffaella; Mattia, Carlo Andrea
Journal of publication	Acta Crystallographica, Section C: Crystal Structure Communications
Year of publication	1995
Journal volume	51
Journal issue	2
Pages of publication	336 - 339
a	8.189 ± 0.003 Å
b	5.047 ± 0.001 Å
c	11.305 ± 0.005 Å
α	90°
β	96.12 ± 0.02°
γ	90°
Cell volume	464.6 ± 0.5 Å³
Cell temperature	293 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.033
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα
Duplicate of	2003186
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218377 (current)	2019-09-17	cif/2/ Marked entries 2010431-2010432 as duplicates of entries 2003186-2003187. Updated entries with the information that was exclusive to their duplicates.	2010431.cif
218376	2019-09-17	cif/2/ Updated bibliographical information in entries 2003186-2003187, 2010431-2010432.	2010431.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2010431.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2010431.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.	2010431.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.	2010431.cif
481	2008-11-20	Changing volume number in numerous Acta Cryst. C published CIFs from 'C[0-9]?[0-9]' into '[0-9]?[0-9]'. This makes the COD CIF collection more uniform, and also helps the deposition scripts to spot potential duplicates more accurately. The command for this transformation was: for i in 2/.cif; \ do ( \ if grep -q '_journal_volume C' $i && \ grep -q '_journal_name_full .Acta Cryst' $i; \ then \ echo === $i ===; \ perl -i -pe 's/_journal_volume C/_journal_volume /' $i; \ perl -i -pe \ "s/_journal_name_full ./_journal_name_full 'Acta Crystallographica Section C'/" $i ; \ fi \ ) done	2010431.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/'	2010431.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2010431.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.	2010431.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)	2010431.cif