Crystallography Open Database

Information card for entry 7245525

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Coordinates	7245525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 F3 N3 O2
Calculated formula	C26 H20 F3 N3 O2
Title of publication	Organocatalytic diastereo- and enantioselective conjugate addition of pyrazol-3-ones to 3-trifluoroethylidene oxindoles with a newly developed squaramide catalyst
Authors of publication	Han, Zhao; Jin, Jiaping; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	41
Pages of publication	27012 - 27021
a	11.5944 ± 0.0005 Å
b	7.9944 ± 0.0004 Å
c	11.8474 ± 0.0005 Å
α	90°
β	101.879 ± 0.002°
γ	90°
Cell volume	1074.62 ± 0.08 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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