Crystallography Open Database

Information card for entry 7244869

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Coordinates	7244869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O2
Calculated formula	C16 H14 N2 O2
Title of publication	Generation of aryl radicals from in situ activated homolytic scission: driving radical reactions by ball milling
Authors of publication	Yang, Xinjie; Wang, Hao; Zhang, Yanhua; Su, Weike; Yu, Jingbo
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	11
Pages of publication	4557 - 4565
a	12.403 ± 0.0005 Å
b	7.2153 ± 0.0002 Å
c	29.2429 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2616.99 ± 0.17 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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