Crystallography Open Database

Information card for entry 7218413

Preview

Coordinates	7218413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H13 N
Calculated formula	C17 H13 N
SMILES	n1cc(cc(c2ccccc2)c1)c1ccccc1
Title of publication	Metal-free synthesis of substituted pyridines from aldehydes and NH4OAc under air
Authors of publication	Yan, Rulong; Zhou, Xiaoqiang; Li, Ming; Li, Xiaoni; Kang, Xing; Liu, Xingxing; Huo, Xing; Huang, Guosheng
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	92
Pages of publication	50369
a	6.5135 ± 0.0013 Å
b	7.3675 ± 0.001 Å
c	13.814 ± 0.002 Å
α	78.153 ± 0.013°
β	76.412 ± 0.016°
γ	90.06 ± 0.014°
Cell volume	629.78 ± 0.19 Å³
Cell temperature	297.1 ± 0.3 K
Ambient diffraction temperature	297.1 ± 0.3 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1594
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.2805
Weighted residual factors for all reflections included in the refinement	0.3187
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180515 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/84.	7218413.cif
125204	2014-10-10	cif/ Adding structures of 7218413 via cif-deposit CGI script.	7218413.cif