Crystallography Open Database

Information card for entry 7133616

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Coordinates	7133616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cl I O4
Calculated formula	C16 H16 Cl I O4
Title of publication	Dispersion-Induced Cooperative Hydrogen Atom Transfer for Radical Iodoalkylation
Authors of publication	Zhu, Shaoqun; Jia, Lizi; Cheng, Qi; Han, Ying; Sun, Qiu; Yu, Huaguang; Chen, Xiao Yun; Hou, Hong
Journal of publication	Chemical Communications
Year of publication	2024
a	8.2223 ± 0.0003 Å
b	10.3432 ± 0.0005 Å
c	11.023 ± 0.0006 Å
α	93.878 ± 0.002°
β	97.956 ± 0.002°
γ	110.091 ± 0.004°
Cell volume	865.22 ± 0.07 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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