Crystallography Open Database

Information card for entry 1514335

Preview

Coordinates	1514335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N3 O
Calculated formula	C18 H19 N3 O
Title of publication	Pd-Catalyzed Oxidative Annulation of Hydrazides with Isocyanides: Synthesis of 2-Amino-1,3,4-oxadiazoles.
Authors of publication	Fang, Tao; Tan, Qitao; Ding, Zhengwei; Liu, Bingxin; Xu, Bin
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	9
Pages of publication	2342 - 2345
a	19.276 ± 0.004 Å
b	6.8223 ± 0.0014 Å
c	13.03 ± 0.003 Å
α	90°
β	104.354 ± 0.002°
γ	90°
Cell volume	1660 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514335.cif
112822	2014-05-04	cif/ Updating files of 1514335 Original log message: Adding full bibliography for 1514335.cif.	1514335.cif
109432	2014-04-12	cif/ Adding structures of 1514335 via cif-deposit CGI script.	1514335.cif