Crystallography Open Database

Information card for entry 7128333

Preview

Coordinates	7128333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N3
Calculated formula	C16 H15 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	23.99 ± 0.02 Å
b	38.69 ± 0.04 Å
c	5.573 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5173 ± 9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1527
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7128333.html