Crystallography Open Database

Information card for entry 1506274

Preview

Coordinates	1506274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 N2 O
Calculated formula	C24 H18 N2 O
SMILES	O=C1NC(=C[C@H]([C@]1([N]#[C])c1ccccc1)c1ccccc1)c1ccccc1.O=C1NC(=C[C@@H]([C@@]1([N]#[C])c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Diastereoselective multicomponent synthesis of dihydropyridones with an isocyanide functionality.
Authors of publication	Paravidino, Monica; Bon, Robin S.; Scheffelaar, Rachel; Vugts, Danielle J.; Znabet, Anass; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Groen, Marinus B.; Orru, Romano V. A.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	23
Pages of publication	5369 - 5372
a	7.2566 ± 0.0002 Å
b	8.17537 ± 0.00018 Å
c	16.3566 ± 0.0007 Å
α	92.313 ± 0.001°
β	100.627 ± 0.001°
γ	103.381 ± 0.001°
Cell volume	924.32 ± 0.05 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	1506274.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506274.cif
48142	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506274 via cif-deposit CGI script.	1506274.cif