Crystallography Open Database

Information card for entry 2204592

2204591 << 2204592 >> 2204593

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2204592.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	5''-Benzylidene-1',1''-dimethyl-4'-phenyl-acenapthene-2-spiro-2'- pyrrolidine-3'-spiro-3''-piperidine-1,4''-dione
Formula	C34 H30 N2 O2
Calculated formula	C34 H30 N2 O2
SMILES	C1[C@@H]([C@@]2([C@@]3(c4cccc5cccc(C3=O)c45)N1C)CN(CC(=C\c1ccccc1)/C2=O)C)c1ccccc1.C1[C@H]([C@]2([C@]3(c4cccc5cccc(C3=O)c45)N1C)CN(CC(=C\c1ccccc1)/C2=O)C)c1ccccc1
Title of publication	5''-Benzylidene-1',1''-dimethyl-4'-phenylacenapthene-2-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-1,4''-dione
Authors of publication	P. G. Aravindan; S. Selvanayagam; D. Velmurugan; K. Ravikumar; Gowri Sridhar; R. Raghunathan
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o2149 - o2151
a	16.6609 ± 0.0001 Å
b	10.4558 ± 0.0009 Å
c	17.4457 ± 0.0002 Å
α	90°
β	116.589 ± 0.001°
γ	90°
Cell volume	2717.7 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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