Crystallography Open Database

Information card for entry 7219050

7219049 << 7219050 >> 7219051

Preview

Coordinates	7219050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 I O3
Calculated formula	C24 H16 I O3
SMILES	IC1=C(C(c2c1cc1OCOc1c2)CC(=O)c1ccccc1)c1ccccc1
Title of publication	Iron(III) Halide or Iodine-Promoted Synthesis of 3-Haloindene Derivatives from o-Alkynylarene Chalcones
Authors of publication	Sikkandarkani, Akbar; Kannupal, Srinivasan
Journal of publication	RSC Adv.
Year of publication	2014
a	12.2994 ± 0.0016 Å
b	13.4828 ± 0.0018 Å
c	13.6652 ± 0.0017 Å
α	60.652 ± 0.013°
β	80.763 ± 0.011°
γ	83.718 ± 0.011°
Cell volume	1948.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.225
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	0.851
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
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219050.cif
128521	2014-12-11	cif/ Adding structures of 7219050 via cif-deposit CGI script.	7219050.cif