Crystallography Open Database

Information card for entry 1503170

Preview

Coordinates	1503170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O2
Calculated formula	C24 H21 N O2
SMILES	O=C1N(C(=CC1(OC)c1ccccc1)c1ccccc1)Cc1ccccc1
Title of publication	Highly efficient and expedient synthesis of 5-hydroxy-1H-pyrrol-2-(5H)-ones from FeCl3-catalyzed tandem intramolecular enaminic addition of tertiary enamides to ketones and 1,3-hydroxy rearrangement.
Authors of publication	Yang, Luo; Lei, Chuan-Hu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	17
Pages of publication	3918 - 3921
a	8.5467 ± 0.0017 Å
b	10.49 ± 0.002 Å
c	21.228 ± 0.004 Å
α	90°
β	101.57 ± 0.03°
γ	90°
Cell volume	1864.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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.	1503170.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503170.cif
37057	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503170 via cif-deposit CGI script.	1503170.cif