Crystallography Open Database

Information card for entry 7128335

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Coordinates	7128335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 F N3
Calculated formula	C16 H14 F N3
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	11.0959 ± 0.0005 Å
b	15.0897 ± 0.0007 Å
c	16.0556 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2688.3 ± 0.2 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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