Crystallography Open Database

Information card for entry 1544523

Preview

Coordinates	1544523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 N4 O4 Si
Calculated formula	C26 H32 N4 O4 Si
SMILES	N1=C(CCC(N1C(=O)c1ccccc1)(O[Si](C)(C)C(C)(C)C)C(=N#N)C(=O)OC)c1ccccc1
Title of publication	Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates.
Authors of publication	Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P.
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	5884 - 5887
a	11.071 ± 0.002 Å
b	13.272 ± 0.003 Å
c	18.896 ± 0.004 Å
α	78.005 ± 0.007°
β	87.787 ± 0.007°
γ	84.779 ± 0.007°
Cell volume	2704 ± 1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1092
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2095
Weighted residual factors for all reflections included in the refinement	0.2355
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
189950 (current)	2017-01-06	cif/ Updating files of 1544521, 1544522, 1544523 Original log message: Adding full bibliography for 1544521--1544523.cif.	1544523.cif
188914	2016-12-05	cif/ Updating files of 1544521, 1544522, 1544523 Original log message: Adding full bibliography for 1544521--1544523.cif.	1544523.cif
188330	2016-11-09	cif/ Adding structures of 1544523 via cif-deposit CGI script.	1544523.cif