Crystallography Open Database

Information card for entry 7161141

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Coordinates	7161141.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	AT_or
Formula	C16 H21.02 N3 O2
Calculated formula	C16 H21.029 N3 O2
Title of publication	Co(II) mediated cascade cyclization of unactivated olefin to afford N-alkylacetamided tetrahydropyridazine and dihydropyrazole
Authors of publication	Thakur, Arunabha; Sau, Subham
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	17.671 ± 0.008 Å
b	4.944 ± 0.002 Å
c	20.07 ± 0.009 Å
α	90°
β	115.611 ± 0.012°
γ	90°
Cell volume	1581.1 ± 1.2 Å³
Cell temperature	287 K
Ambient diffraction temperature	287 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2541
Residual factor for significantly intense reflections	0.2066
Weighted residual factors for significantly intense reflections	0.4866
Weighted residual factors for all reflections included in the refinement	0.5458
Goodness-of-fit parameter for all reflections included in the refinement	2.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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