Crystallography Open Database

Information card for entry 1518633

Preview

Coordinates	1518633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 N O
Calculated formula	C24 H17 N O
SMILES	O=C(c1ncc(c2ccccc2)cc1c1ccccc1)c1ccccc1
Title of publication	Cu-Catalyzed Concise Synthesis of Pyridines and 2-(1H)-Pyridones from Acetaldehydes and Simple Nitrogen Donors.
Authors of publication	Li, Ziyuan; Huang, Xiaoqiang; Chen, Feng; Zhang, Chun; Wang, Xiaoyang; Jiao, Ning
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	584 - 587
a	9.5489 ± 0.0005 Å
b	9.6991 ± 0.0005 Å
c	19.1473 ± 0.001 Å
α	90°
β	97.465 ± 0.002°
γ	90°
Cell volume	1758.31 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	1518633.cif
132991	2015-03-04	cif/ Updating files of 1518633 Original log message: Adding full bibliography for 1518633.cif.	1518633.cif
130859	2015-02-04	cif/ Adding structures of 1518633 via cif-deposit CGI script.	1518633.cif