Crystallography Open Database

Information card for entry 7251254

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Coordinates	7251254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 F6 N O
Calculated formula	C21 H17 F6 N O
Title of publication	Rearrangement-Driven Divergent Synthesis: A Metal-Free Tandem Annulation for CF3-Functionalized 1-(Aminomethyl)naphthalen-2-ols and 1-(2-Naphthyl)azetidines
Authors of publication	Wang, Bin; Li, Zekun; Cao, Hua
Journal of publication	Green Chemistry
Year of publication	2025
a	9.1569 ± 0.0002 Å
b	22.3534 ± 0.0004 Å
c	9.6077 ± 0.0002 Å
α	90°
β	109.638 ± 0.002°
γ	90°
Cell volume	1852.19 ± 0.07 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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