Crystallography Open Database

Information card for entry 7159117

Preview

Coordinates	7159117.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(1E,4Z,6E)-5-hydroxy-1,7-bis(4-methoxyphenyl)hepta-1,4,6-trien-3-one
Formula	C21 H20 O4
Calculated formula	C21 H20 O4
Title of publication	Curcumin-based molecular probes for fluorescence imaging of fungi
Authors of publication	Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2023
Journal volume	21
Journal issue	7
Pages of publication	1531 - 1536
a	11.691 ± 0.0019 Å
b	10.8177 ± 0.0018 Å
c	13.581 ± 0.002 Å
α	90°
β	99.087 ± 0.005°
γ	90°
Cell volume	1696 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282621 (current)	2023-04-13	cod/ (saulius@tasmanijos-velnias) Fixing incorrectly parsed author names: codslave 'select file from data where authors like "%\|%"' -NB \| codid2file \| xargs -i sh -c 'DOI=$(awk "/^_journal_paper_doi/ {print \$2}" {}); MRK=$(basename $DOI).mrk; if ! [ -f $MRK ]; then ( set -x; crossref-get-biblio --doi $DOI > $MRK ) fi; head -v $MRK' codslave 'select file from data where authors like "%\|%"' -NB \| codid2file \| xargs -i sh -c 'DOI=$(awk "/^_journal_paper_doi/ {print \$2}" {}); MRK=$(basename $DOI).mrk; set -x; cif_filter --use-all-datablocks --biblio $MRK --fold-title --add-cif-header {} {} \| sponge {}' Commands and program versions: saulius@tasmanijos-velnias restore-biblio/ $ type codslave codslave is aliased to `mysql -u cod_reader -h sql.crystallography.net cod -e' saulius@tasmanijos-velnias restore-biblio/ $ type codid2file codid2file is /home/saulius/scripts/codid2file saulius@tasmanijos-velnias restore-biblio/ $ type cif_filter cif_filter is hashed (/usr/bin/cif_filter) saulius@tasmanijos-velnias restore-biblio/ $ cif_filter --version cod-tools version 2.10	7159117.cif
281594	2023-03-04	cif/ Updating files of 7159117, 7159118 Original log message: Adding full bibliography for 7159117--7159118.cif.	7159117.cif
280615	2023-01-26	cif/ Adding structures of 7159117, 7159118 via cif-deposit CGI script.	7159117.cif