Crystallography Open Database

Information card for entry 7057222

Preview

Coordinates	7057222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N3 O4
Calculated formula	C23 H21 N3 O4
Title of publication	DMAP-catalyzed alkylation of isatin N,N′-cyclic azomethine imine 1,3-dipoles with Morita‒Baylis‒Hillman carbonates
Authors of publication	Hu, Shihe; Zhang, Jian; Jin, Qiaomei
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	9
Pages of publication	7025
a	12.911 ± 0.003 Å
b	18.214 ± 0.004 Å
c	8.554 ± 0.0017 Å
α	90°
β	91.9 ± 0.03°
γ	90°
Cell volume	2010.5 ± 0.8 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	0.2222
Residual factor for significantly intense reflections	0.1264
Weighted residual factors for significantly intense reflections	0.2715
Weighted residual factors for all reflections included in the refinement	0.3178
Goodness-of-fit parameter for all reflections included in the refinement	1.538
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
230442 (current)	2019-11-17	cif/ Updating files of 7057222 Original log message: Adding full bibliography for 7057222.cif.	7057222.cif
207171	2018-03-29	cif/ Adding structures of 7057222 via cif-deposit CGI script.	7057222.cif