Crystallography Open Database

Information card for entry 2238570

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Structure parameters

Chemical name	1',1''-Dimethyl-4'-(4-methylphenyl)dispiro[11<i>H</i>-indeno[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
Formula	C31 H30 N4 O
Calculated formula	C31 H30 N4 O
SMILES	CN1C[C@H]([C@]2([C@@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccc(cc1)C.CN1C[C@@H]([C@@]2([C@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccc(cc1)C
Title of publication	1',1''-Dimethyl-4'-(4-methylphenyl)dispiro[11<i>H</i>-indeno[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
Authors of publication	Nagalakshmi, R. A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. N.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	9
Pages of publication	o1466
a	22.3183 ± 0.0007 Å
b	14.4411 ± 0.0005 Å
c	17.2474 ± 0.0006 Å
α	90°
β	116.547 ± 0.002°
γ	90°
Cell volume	4972.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238570.cif 2238570.hkl
181307	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 2/23/85.	2238570.cif 2238570.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.	2238570.cif 2238570.hkl
89416	2013-10-25	cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr.	2238570.cif 2238570.hkl
89414	2013-10-24	cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures.	2238570.cif 2238570.hkl
88714	2013-10-02	cif/ Adding structures of 2238570 via cif-deposit CGI script.	2238570.cif