Crystallography Open Database

Information card for entry 7156782

Preview

Coordinates	7156782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N3 O
Calculated formula	C18 H15 N3 O
Title of publication	Silver-mediated three-component cycloaddition reaction for direct synthesis of 1-N-vinyl-substituted 1,2,3-triazoles.
Authors of publication	Chen, Jinpeng; Liang, Taoyuan; Zhao, He; Lin, Chuyuan; Chen, Lu; Zhang, Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	19
Pages of publication	4843 - 4849
a	9.405 ± 0.007 Å
b	9.471 ± 0.007 Å
c	9.815 ± 0.007 Å
α	84.218 ± 0.008°
β	63.798 ± 0.007°
γ	78.437 ± 0.008°
Cell volume	768.4 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225159 (current)	2019-11-08	cif/ Updating files of 7156782 Original log message: Adding full bibliography for 7156782.cif.	7156782.cif
214685	2019-04-18	cif/ Adding structures of 7156782 via cif-deposit CGI script.	7156782.cif