Crystallography Open Database

Information card for entry 7121224

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Structure parameters

Formula	C14 H16 O3
Calculated formula	C14 H16 O3
Title of publication	Transition metal free regio-selective C-H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)<sub>2</sub> as the oxidant.
Authors of publication	Viswanadh, N.; Ghotekar, Ganesh S.; Thoke, Mahesh B.; Velayudham, R.; Shaikh, Aslam C.; Karthikeyan, M.; Muthukrishnan, M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	18
Pages of publication	2252 - 2255
a	21.1661 ± 0.0009 Å
b	6.9223 ± 0.0003 Å
c	23.4838 ± 0.0009 Å
α	90°
β	91.652 ± 0.002°
γ	90°
Cell volume	3439.4 ± 0.2 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 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	0.0641
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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