Crystallography Open Database

Information card for entry 2236146

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Structure parameters

Chemical name	Methyl (3<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxodispiro[indoline- 3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate
Formula	C22 H21 N3 O4
Calculated formula	C22 H21 N3 O4
SMILES	C1[C@@H]([C@@]2([C@@]3(c4ccccc4NC3=O)N1C)c1ccccc1N(C2=O)C)C(=O)OC.C1[C@H]([C@]2([C@]3(c4ccccc4NC3=O)N1C)c1ccccc1N(C2=O)C)C(=O)OC
Title of publication	Methyl (3<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate
Authors of publication	Ganesh, G.; Yuvaraj, Panneer Selvam; Govindan, E.; Reddy, Boreddy S. R.; SubbiahPandi, A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	10
Pages of publication	o2902 - o2903
a	9.8244 ± 0.0004 Å
b	12.7193 ± 0.0005 Å
c	15.763 ± 0.0006 Å
α	90°
β	95.474 ± 0.002°
γ	90°
Cell volume	1960.75 ± 0.13 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181283 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/61.	2236146.cif 2236146.hkl
176798	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.	2236146.cif 2236146.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236146.cif 2236146.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2236146.cif 2236146.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2236146.cif 2236146.hkl
69690	2012-12-21	cif/ Adding structures of 2236146 via cif-deposit CGI script.	2236146.cif