Crystallography Open Database

Information card for entry 1516490

Preview

Coordinates	1516490.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Flavanone 5
Formula	C19 H14 O2
Calculated formula	C19 H14 O2
SMILES	O1C(CC(=O)c2c1ccc1ccccc21)c1ccccc1
Title of publication	Studies on the photochemistry of 1,7-diphenyl-1,6-heptadiene-3,5-dione, a non-phenolic curcuminoid model
Authors of publication	Sundaryono, Agus; Nourmamode, Aziz; Gardrat, Christian; Grelier, Stéphane; Bravic, Georges; Chasseau, Daniel; Castellan, Alain
Journal of publication	Photochemical & Photobiological Sciences
Year of publication	2003
Journal volume	2
Journal issue	9
Pages of publication	914 - 920
a	26.9628 ± 0.0009 Å
b	15.3036 ± 0.0004 Å
c	6.9176 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2854.39 ± 0.15 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.049
Weighted residual factors for all reflections	0.123
Goodness-of-fit parameter for all reflections	0.999
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1516490.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	1516490.cif
115433	2014-06-03	cif/ Adding structures of 1516490 via cif-deposit CGI script.	1516490.cif