Crystallography Open Database

Information card for entry 2237371

Preview

Coordinates	2237371.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene- 1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione
Formula	C33 H25 F2 N O2
Calculated formula	C33 H25 F2 N O2
SMILES	Fc1c(/C=C\2C(=O)[C@]3(CC2)[C@H](CN([C@]23C(=O)c3c4c2cccc4ccc3)C)c2ccccc2F)cccc1.Fc1c(/C=C\2C(=O)[C@@]3(CC2)[C@@H](CN([C@@]23C(=O)c3c4c2cccc4ccc3)C)c2ccccc2F)cccc1
Title of publication	3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione
Authors of publication	Chen, Gao-Zhi; Wei, Xiao-Yan; Wang, Yi; Ren, Lu-Qing; Li, Xiao-Kun
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	2
Pages of publication	o249 - o250
a	17.728 ± 0.013 Å
b	12.272 ± 0.009 Å
c	12.094 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	2631 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2237371.cif
75387	2013-03-09	cif/ Adding structures of 2237371 via cif-deposit CGI script.	2237371.cif