Crystallography Open Database

Information card for entry 2202399

2202398 << 2202399 >> 2202400

Preview

Structure parameters

Chemical name	5''-Benzylidene-1'-methyl-4'-phenylindole-3-spiro-2'-pyrrolidine-3'-spiro-3''- piperidine-2(3H),4''-dione
Formula	C30 H29 N3 O2
Calculated formula	C30 H29 N3 O2
SMILES	N1c2ccccc2[C@]2(C1=O)N(C[C@H]([C@]12CN(C/C(=C\c2ccccc2)C1=O)C)c1ccccc1)C.N1c2ccccc2[C@@]2(C1=O)N(C[C@@H]([C@@]12CN(C/C(=C\c2ccccc2)C1=O)C)c1ccccc1)C
Title of publication	5''-Benzylidene-1'-methyl-4'-phenylindole-3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2(3<i>H</i>),4''-dione
Authors of publication	M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; Gowri Sridhar; R. Raghunathan
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	12
Pages of publication	o1878 - o1880
a	10.6889 ± 0.0007 Å
b	18.9025 ± 0.0012 Å
c	12.527 ± 0.0008 Å
α	90°
β	95.283 ± 0.001°
γ	90°
Cell volume	2520.3 ± 0.3 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	0.0856
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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