Crystallography Open Database

Information card for entry 1503361

Preview

Coordinates	1503361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 I N O2
Calculated formula	C23 H16 I N O2
SMILES	Ic1ccc(Nc2ccccc2C(=O)[C@]23O[C@H](C=C2)c2c3cccc2)cc1.Ic1ccc(Nc2ccccc2C(=O)[C@@]23O[C@@H](C=C2)c2c3cccc2)cc1
Title of publication	Insertion of benzene rings into the amide bond: one-step synthesis of acridines and acridones from aryl amides.
Authors of publication	Pintori, Didier G.; Greaney, Michael F.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	1
Pages of publication	168 - 171
a	8.3396 ± 0.0002 Å
b	9.1524 ± 0.0002 Å
c	12.1045 ± 0.0003 Å
α	86.0787 ± 0.0012°
β	79.3543 ± 0.0011°
γ	85.5743 ± 0.0011°
Cell volume	903.91 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	1503361.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503361.cif
37236	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503361 via cif-deposit CGI script.	1503361.cif