Crystallography Open Database

Information card for entry 2010435

2010434 << 2010435 >> 2010436

Preview

Coordinates	2010435.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 H12 Cl N O3
Calculated formula	C6 H11 Cl N O3
Title of publication	trans-3-Hydroxy-N-methyl-L-proline Hydrochloride
Authors of publication	Jones, Graham P.; Paleg, Leslie G.; Waisel, Yoav; Solomon, Aaron; Beer, Sven; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica, Section C: Crystal Structure Communications
Year of publication	1995
Journal volume	51
Journal issue	2
Pages of publication	287 - 289
a	10.3118 ± 0.0007 Å
b	11.5912 ± 0.0006 Å
c	7.1818 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	858.41 ± 0.08 Å³
Cell temperature	293 K
Ambient diffraction temperature	20 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
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.059
Goodness-of-fit parameter for significantly intense reflections	4.25
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Duplicate of	2003188
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209634 (current)	2018-08-12	cif/2/ Adding additional information in entries 2003188, 2010435 after consulting the original supplementary material. Marking entry 2010435 as a duplicate of entry 2003188.	2010435.cif
209633	2018-08-12	cif/2/ Updating space group information in entries 2003188, 2010435.	2010435.cif
209632	2018-08-12	cif/2/ Updating bibliography in entries 2003188, 2010435.	2010435.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2010435.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	2010435.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.	2010435.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	2010435.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/'	2010435.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2010435.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.	2010435.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)	2010435.cif