Crystallography Open Database

Information card for entry 4518144

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Coordinates	4518144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 N2 O2
Calculated formula	C17 H20 N2 O2
Title of publication	Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals
Authors of publication	Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	12618 - 12626
a	11.248 ± 0.0004 Å
b	13.4191 ± 0.0005 Å
c	9.9224 ± 0.0003 Å
α	90°
β	96.859 ± 0.001°
γ	90°
Cell volume	1486.95 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0534
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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