Crystallography Open Database

Information card for entry 7125193

Preview

Coordinates	7125193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 F3 N3
Calculated formula	C25 H18 F3 N3
Title of publication	Copper-catalyzed cascade cyclization of 1,5-enynes via consecutive trifluoromethylazidation/diazidation and click reaction: self-assembly of triazole fused isoindolines.
Authors of publication	Yu, Liu-Zhu; Wei, Yin; Shi, Min
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	89
Pages of publication	13163 - 13166
a	21.381 ± 0.008 Å
b	12.571 ± 0.004 Å
c	16.69 ± 0.006 Å
α	90°
β	117.251 ± 0.008°
γ	90°
Cell volume	3988 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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