Crystallography Open Database

Information card for entry 7157684

Preview

Coordinates	7157684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 F3 N
Calculated formula	C27 H26 F3 N
Title of publication	Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).
Authors of publication	Li, Peng-Hua; Wei, Yin; Shi, Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	36
Pages of publication	7127 - 7138
a	8.754 ± 0.0003 Å
b	13.9202 ± 0.0005 Å
c	20.4884 ± 0.0007 Å
α	70.805 ± 0.001°
β	84.483 ± 0.001°
γ	81.586 ± 0.001°
Cell volume	2329.4 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1853
Residual factor for significantly intense reflections	0.1232
Weighted residual factors for significantly intense reflections	0.3304
Weighted residual factors for all reflections included in the refinement	0.3905
Goodness-of-fit parameter for all reflections included in the refinement	1.284
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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