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Information card for entry 2204592
Preview
Coordinates | 2204592.cif |
---|---|
Structure factors | 2204592.hkl |
Original IUCr paper | HTML |
Chemical name | 5''-Benzylidene-1',1''-dimethyl-4'-phenyl-acenapthene-2-spiro-2'- pyrrolidine-3'-spiro-3''-piperidine-1,4''-dione |
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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 Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204592.html
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