Crystallography Open Database

Information card for entry 7063806

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Coordinates	7063806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N7
Calculated formula	C18 H23 N7
Title of publication	ANRORC-type reactions of azolo[1,5-a]pyrimidine-6-carbonitriles with O- and N-nucleophiles
Authors of publication	Aminov, Semen V.; Fedotov, Victor V.; Savateev, Konstantin V.; Neymash, Artyom O.; Ulomsky, Evgeny N.; Slepukhin, Pavel A.; Rusinov, Vladimir L.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	21
Pages of publication	8627 - 8631
a	9.5201 ± 0.0005 Å
b	12.7114 ± 0.0006 Å
c	16.236 ± 0.0008 Å
α	99.885 ± 0.004°
β	93.772 ± 0.004°
γ	106.915 ± 0.004°
Cell volume	1837.86 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1412
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1711
Weighted residual factors for all reflections included in the refinement	0.2261
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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