Crystallography Open Database

Information card for entry 1518279

Preview

Coordinates	1518279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N2 O2
Calculated formula	C24 H20 N2 O2
SMILES	O=C1N(N2[C@H]([C@@H]1c1ccccc1)c1c(CC2)cccc1)C(=O)c1ccccc1
Title of publication	Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides
Authors of publication	Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1252
a	7.58 ± 0.0001 Å
b	13.2149 ± 0.0001 Å
c	18.5282 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1855.95 ± 0.03 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0402
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54178 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.	1518279.cif
133102	2015-03-06	cif/ Updating files of 1518279 Original log message: Adding full bibliography for 1518279.cif.	1518279.cif
127530	2014-11-20	cif/ Adding structures of 1518279 via cif-deposit CGI script.	1518279.cif