Crystallography Open Database

Information card for entry 1504844

Preview

Coordinates	1504844.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Benzyl-4-phenyl-1,5,6,7-tetrahydro-[1]pyrindin-2-one
Formula	C19 H17 N O
Calculated formula	C19 H17 N O
SMILES	O=c1n(Cc2ccccc2)c(cc(c1)c1ccccc1)C
Title of publication	Convergent and rapid assembly of substituted 2-pyridones through formation of N-alkenyl alkynylamides followed by gold-catalyzed cycloisomerization.
Authors of publication	Imase, Hidetomo; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	16
Pages of publication	3563 - 3566
a	9.41594 ± 0.00017 Å
b	9.23042 ± 0.00017 Å
c	17.4324 ± 0.0003 Å
α	90°
β	102.54 ± 0.001°
γ	90°
Cell volume	1478.96 ± 0.05 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.0426
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54187 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.	1504844.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504844.cif
42411	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504844 via cif-deposit CGI script.	1504844.cif