Crystallography Open Database

Information card for entry 1518783

Preview

Coordinates	1518783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 N2
Calculated formula	C23 H16 N2
SMILES	[nH]1c2c(cccc2)cc1/C(=C\c1ccc(cc1)C#N)c1ccccc1
Title of publication	Highly Stereoselective Ruthenium(II)-Catalyzed Direct C2-syn-Alkenylation of Indoles with Alkynes.
Authors of publication	Zhang, Wei; Wei, Jun; Fu, Shaomin; Lin, Dongen; Jiang, Huanfeng; Zeng, Wei
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	6
Pages of publication	1349 - 1352
a	14.9264 ± 0.0006 Å
b	8.5389 ± 0.0003 Å
c	13.3223 ± 0.0006 Å
α	90°
β	96.518 ± 0.004°
γ	90°
Cell volume	1687.02 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0583
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1518783.cif
134872	2015-04-04	cif/ Updating files of 1518783 Original log message: Adding full bibliography for 1518783.cif.	1518783.cif
133589	2015-03-07	cif/ Adding structures of 1518783 via cif-deposit CGI script.	1518783.cif