Crystallography Open Database

Information card for entry 1553529

Preview

Coordinates	1553529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N O3
Calculated formula	C24 H19 N O3
SMILES	O=C1c2ccccc2C(=O)C21N=C(c1ccccc1)CC2c1ccccc1.O
Title of publication	Synthesis of spiro[indane-1,3-dione-1-pyrrolines] via copper-catalyzed heteroannulation of ketoxime acetates with 2-arylideneindane-1,3-diones
Authors of publication	Duan, Jindian; Cheng, Yuyu; Li, Rou; Li, Pengfei
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	12
Pages of publication	1614
a	9.3034 ± 0.0001 Å
b	9.6541 ± 0.0002 Å
c	11.6687 ± 0.0008 Å
α	101.875 ± 0.007°
β	106.962 ± 0.008°
γ	96.397 ± 0.007°
Cell volume	964.39 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235100 (current)	2019-11-23	cif/ Adding structures of 1553529 via cif-deposit CGI script.	1553529.cif