Crystallography Open Database

Information card for entry 7219421

7219420 << 7219421 >> 7219422

Preview

Coordinates	7219421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H38 F4 N8 O6 S2
Calculated formula	C52 H38 F4 N8 O6 S2
Title of publication	Cu(OTf)2 catalyzed three component strategy for the synthesis of thienopyridine containing spirooxindoles and their cytotoxic evaluation
Authors of publication	Paramasivan Thirumalai, Perumal; K, Parthasarathy; C, Praveen; P, Senthil Kumar; C, Balachandran
Journal of publication	RSC Adv.
Year of publication	2015
a	12.8051 ± 0.0005 Å
b	12.8767 ± 0.0005 Å
c	15.6983 ± 0.0006 Å
α	66.206 ± 0.002°
β	88.78 ± 0.002°
γ	81.531 ± 0.002°
Cell volume	2340.53 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1751
Weighted residual factors for all reflections included in the refinement	0.2157
Goodness-of-fit parameter for all reflections included in the refinement	1.349
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
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219421.cif
130207	2015-01-29	cif/ Adding structures of 7219421 via cif-deposit CGI script.	7219421.cif