Crystallography Open Database

Information card for entry 7160344

Preview

Coordinates	7160344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 F3 N3
Calculated formula	C16 H14 F3 N3
Title of publication	Atmospheric oxygen mediated oxidation coupling of primary and secondary alcohols: synthesis of pyrazolo[1,5-<i>a</i>]pyrimidines.
Authors of publication	Guo, Xiaoshuang; Zhao, Peng; Jiang, Chengjun; Ma, Yongmin; Miao, Maozhong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	9
Pages of publication	2092 - 2095
a	26.52 ± 0.05 Å
b	17.03 ± 0.03 Å
c	15.65 ± 0.04 Å
α	90°
β	124.81 ± 0.05°
γ	90°
Cell volume	5803 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1021
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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