Crystallography Open Database

Information card for entry 1503863

Preview

Coordinates	1503863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 N2 O5
Calculated formula	C23 H24 N2 O5
SMILES	C1COCCN1c1ccc2c(c1C(=O)OCC)C(=O)N1[C@H]2OC[C@H]1c1ccccc1
Title of publication	Concise synthesis of tricyclic isoindolinones via one-pot cascade multicomponent sequences.
Authors of publication	Medimagh, Raouf; Marque, Sylvain; Prim, Damien; Marrot, Jérôme; Chatti, Saber
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	8
Pages of publication	1817 - 1820
a	8.7153 ± 0.0007 Å
b	9.8625 ± 0.0009 Å
c	24.055 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2067.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1503863.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503863.cif
39151	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503863 via cif-deposit CGI script.	1503863.cif