Crystallography Open Database

Information card for entry 7155306

Preview

Coordinates	7155306.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(2,4-diphenyl-6-(p-tolyl)pyridin-1(2H)-yl)ethanone
Formula	C26 H23 N O
Calculated formula	C26 H23 N O
SMILES	O=C(N1C(=CC(=CC1c1ccccc1)c1ccccc1)c1ccc(cc1)C)C
Title of publication	BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.
Authors of publication	Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	43
Pages of publication	10165 - 10169
a	12.523 ± 0.013 Å
b	9.952 ± 0.01 Å
c	16.598 ± 0.018 Å
α	90°
β	107.466 ± 0.016°
γ	90°
Cell volume	1973 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1085
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1943
Goodness-of-fit parameter for all reflections included in the refinement	0.655
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
188296 (current)	2016-11-08	cif/ Updating files of 7155305, 7155306 Original log message: Adding full bibliography for 7155305--7155306.cif.	7155306.cif
187015	2016-10-07	cif/ Adding structures of 7155305, 7155306 via cif-deposit CGI script.	7155306.cif