Crystallography Open Database

Information card for entry 1547257

Preview

Coordinates	1547257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 O6
Calculated formula	C23 H24 O6
SMILES	O=C(/C=C/c1c(OC)cccc1OC)/C=C(O)/C=C/c1c(OC)cccc1OC
Title of publication	Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination
Authors of publication	Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket
Journal of publication	Chemistry Central Journal
Year of publication	2013
Journal volume	7
Pages of publication	107
a	9.5682 ± 0.0002 Å
b	15.8094 ± 0.0004 Å
c	13.5902 ± 0.0002 Å
α	90°
β	99.76 ± 0.001°
γ	90°
Cell volume	2026 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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