Crystallography Open Database

Information card for entry 7132801

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Coordinates	7132801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 F N2
Calculated formula	C22 H17 F N2
Title of publication	I<sub>2</sub>-catalyzed synthesis of 3-aminopyrrole with homopropargylic amines and nitrosoarenes.
Authors of publication	Qin, Jiaze; Jiang, Shixuan; Luo, Xiaofeng; Wang, Tianqiang; Liu, Peihua; Yuan, Bingxiang; Yan, Rulong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	27
Pages of publication	3701 - 3704
a	6.2418 ± 0.0003 Å
b	18.1094 ± 0.0007 Å
c	15.2988 ± 0.0006 Å
α	90°
β	96.701 ± 0.004°
γ	90°
Cell volume	1717.49 ± 0.13 Å³
Cell temperature	290.9 ± 0.4 K
Ambient diffraction temperature	290.9 ± 0.4 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	0.0901
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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