Crystallography Open Database

Information card for entry 7217095

Preview

Coordinates	7217095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N4 O2
Calculated formula	C24 H24 N4 O2
SMILES	O=C1Nc2c([C@]31N1[C@@H]([C@@H]4N([C@@]53C(=O)Nc3c5cccc3)CCC4)CCC1)cccc2.O=C1Nc2c([C@@]31N1[C@H]([C@H]4N([C@@]53c3c(NC5=O)cccc3)CCC4)CCC1)cccc2
Title of publication	Synthesis of Functionalized Dispiro-oxindoles through Azomethine Ylide Dimerization and Mechanistic Studies to Explain the Diastreoslectivity
Authors of publication	Banerjee, Prabal; Pandey, Ashok Kumar
Journal of publication	RSC Advances
Year of publication	2014
a	32.703 ± 0.002 Å
b	32.703 ± 0.002 Å
c	20.7189 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	19190 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1955
Weighted residual factors for all reflections included in the refinement	0.2133
Goodness-of-fit parameter for all reflections included in the refinement	0.898
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
183084 (current)	2016-05-23	cif/7 Fixing some Z values and formulae	7217095.cif
180501	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 7/21/70.	7217095.cif
120047	2014-07-11	cif/ Adding structures of 7217095, 7217096 via cif-deposit CGI script.	7217095.cif