Crystallography Open Database

Information card for entry 4020043

4020042 << 4020043 >> 4020044

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Coordinates	4020043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 N O3
Calculated formula	C14 H12 N O3
Authors of publication	Azusa Sato; Hisanaka Ito; Takeo Taguchi
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	709 - 712
a	9.741 ± 0.006 Å
b	4.787 ± 0.004 Å
c	27.44 ± 0.02 Å
α	90°
β	97.63 ± 0.06°
γ	90°
Cell volume	1268 ± 1 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178378 (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 4/02/00.	4020043.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4020043.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4020043.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.	4020043.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.	4020043.cif
109	2008-02-09	Correcting the '_journal volume' misspelled tag automatically in 47 CIF files: ff \.cif \| xargs grep '^ _journal volume' \| awk -F: '{print $1}' \ \| sort \| uniq \| xargs perl -i -pe 's/^_journal volume/_journal_volume/'	4020043.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/'	4020043.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4020043.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.	4020043.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)	4020043.cif