Crystallography Open Database

Information card for entry 7135138

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Coordinates	7135138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 I O6
Calculated formula	C22 H21 I O6
Title of publication	Photocyclisations of o-Iodobenzyl-Indanones and Tetralones infer the Intermediacy of Triplet Aryl Cations.
Authors of publication	Harrowven, David; Powderly, Marian; Lindup, Toby; Jackman, Edward Henry; Light, Mark E.; Legros, Julien; Chataigner, Isabelle
Journal of publication	Chemical Communications
Year of publication	2025
a	9.0209 ± 0.0002 Å
b	9.603 ± 0.0002 Å
c	13.967 ± 0.0002 Å
α	73.695 ± 0.001°
β	71.448 ± 0.001°
γ	66.6 ± 0.002°
Cell volume	1036.01 ± 0.04 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.0172
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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