Crystallography Open Database

Information card for entry 7128354

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Coordinates	7128354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 F3 N6
Calculated formula	C26 H25 F3 N6
Title of publication	Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.
Authors of publication	Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	50
Pages of publication	6137 - 6140
a	32.987 ± 0.016 Å
b	16.616 ± 0.007 Å
c	11.427 ± 0.005 Å
α	90°
β	105.17 ± 0.02°
γ	90°
Cell volume	6045 ± 5 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 2 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	0.1845
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.2684
Weighted residual factors for all reflections included in the refinement	0.311
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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