Crystallography Open Database

Information card for entry 4036540

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Coordinates	4036540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 F6 N O4
Calculated formula	C25 H23 F6 N O4
Title of publication	Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.
Authors of publication	Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	5
Pages of publication	1839 - 1849
a	19.972 ± 0.0015 Å
b	16.8768 ± 0.0014 Å
c	14.6858 ± 0.0011 Å
α	90°
β	102.828 ± 0.003°
γ	90°
Cell volume	4826.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0797
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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