Crystallography Open Database

Information card for entry 7159952

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Coordinates	7159952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.18 H2.18 F0.55 N0.18
Calculated formula	C2.18182 H2.18182 F0.545455 N0.181818
Title of publication	Photocatalytic C2-trifluoroethylation and perfluoroalkylation of 3-substituted indoles using fluoroalkyl halides.
Authors of publication	Arora, Shivani; Singh, Tavinder; Singh, Anand
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
a	9.4607 ± 0.0003 Å
b	11.8094 ± 0.0004 Å
c	10.5546 ± 0.0003 Å
α	90°
β	113.879 ± 0.001°
γ	90°
Cell volume	1078.28 ± 0.06 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.053
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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