Crystallography Open Database

Information card for entry 7132878

Preview

Coordinates	7132878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O4
Calculated formula	C16 H19 N O4
SMILES	O=C1N(C(O)(c2ccccc12)CC(C)C)/C=C/C(=O)OC
Title of publication	Photoredox-catalyzed radical-radical cross coupling of ketyl radicals with unstabilized primary alkyl radicals.
Authors of publication	Feng, Shishen; Liu, Hong; Li, Yan; Fang, Yewen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	33
Pages of publication	4431 - 4434
a	13.824 ± 0.0006 Å
b	7.5535 ± 0.0003 Å
c	14.7562 ± 0.0006 Å
α	90°
β	100.354 ± 0.001°
γ	90°
Cell volume	1515.75 ± 0.11 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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