Crystallography Open Database

Information card for entry 1574416

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Coordinates	1574416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N O4
Calculated formula	C14 H15 N O4
Title of publication	Photoinduced copper-catalysed enantioselective amination of allylic and propargylic C–H bonds
Authors of publication	Dai, Ling; Chen, Ying-Ying; Wang, Jing-Jun; Chen, Jun-Jia; Zhou, Qi-Lin
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	21
Pages of publication	9213 - 9219
a	7.41048 ± 0.00005 Å
b	6.29241 ± 0.00005 Å
c	28.7488 ± 0.00018 Å
α	90°
β	94.1631 ± 0.0006°
γ	90°
Cell volume	1337.01 ± 0.016 Å³
Cell temperature	143.15 K
Ambient diffraction temperature	143.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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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