Crystallography Open Database

Information card for entry 1567274

Preview

Coordinates	1567274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 F2 N O
Calculated formula	C19 H15 F2 N O
SMILES	FC1(F)C(=O)c2c3c(n(c2[C@H](C1)c1ccccc1)C)cccc3
Title of publication	A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes
Authors of publication	Liu, Zhen; Wei, Yin; Shi, Min
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	17
Pages of publication	5325 - 5331
a	5.5106 ± 0.0002 Å
b	7.7117 ± 0.0003 Å
c	9.6692 ± 0.0003 Å
α	70.09 ± 0.001°
β	86.972 ± 0.001°
γ	85.438 ± 0.001°
Cell volume	384.97 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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