Crystallography Open Database

Information card for entry 7160058

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Coordinates	7160058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 F N O
Calculated formula	C22 H18 F N O
Title of publication	Synthesis of indolines <i>via</i> palladium-catalyzed [4 + 1] annulation of (2-aminophenyl)methanols with sulfoxonium ylides.
Authors of publication	Hao, Erxiao; Kong, Xiaomei; Xu, Tongyu; Zeng, Fanlong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	31
Pages of publication	6342 - 6351
a	15.9994 ± 0.0008 Å
b	11.023 ± 0.0006 Å
c	19.3105 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3405.6 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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