Crystallography Open Database

Information card for entry 4519143

4519142 << 4519143 >> 4519144

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Coordinates	4519143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 F2 N O
Calculated formula	C18 H17 F2 N O
Title of publication	Highly Regioselective Difluoroalkylarylation of Butadiene through a Nickel-Catalyzed Tandem Radical Process
Authors of publication	Ma, Shucheng; Li, Fangjie; Zhang, Guisheng; Shi, Lei; Wang, Xiaoming
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	14848 - 14853
a	10.2505 ± 0.0004 Å
b	14.9948 ± 0.0006 Å
c	10.2309 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1572.53 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	192.99 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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