Crystallography Open Database

Information card for entry 7245402

Preview

Coordinates	7245402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 N4 O
Calculated formula	C21 H24 N4 O
SMILES	o1c(nc(/N=N/N(C(C)C)C(C)C)c1c1ccccc1)c1ccccc1
Title of publication	Gold-catalyzed synthesis of oxazoles from alkynyl triazenes and dioxazoles
Authors of publication	Mao, Zhenjun; Zeng, Hao
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	38
Pages of publication	24857 - 24860
a	20.6474 ± 0.0005 Å
b	8.3478 ± 0.0002 Å
c	11.4696 ± 0.0003 Å
α	90°
β	102.688 ± 0.001°
γ	90°
Cell volume	1928.63 ± 0.08 Å³
Cell temperature	169 ± 2 K
Ambient diffraction temperature	169 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7245402.html