Crystallography Open Database

Information card for entry 7128352

Preview

Coordinates	7128352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 F N5
Calculated formula	C16 H12 F N5
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	7.2146 ± 0.0014 Å
b	11.816 ± 0.002 Å
c	16.161 ± 0.004 Å
α	90°
β	102.558 ± 0.007°
γ	90°
Cell volume	1344.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0496
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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