Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233754
Preview
Coordinates | 2233754.cif |
---|---|
Structure factors | 2233754.hkl |
Original IUCr paper | HTML |
Chemical name | 1-(2-Hydroxyethyl)-1'-methyl-4'-(naphthalen-1-yl)-1'',2'',3'',4''-tetrahydrodispiro[indoline-3,2'-pyrrolidine-3',2''-naphthalene]-2,1''-dione |
---|---|
Formula | C33 H30 N2 O3 |
Calculated formula | C33 H30 N2 O3 |
SMILES | N1(C[C@@H]([C@]2([C@]31c1ccccc1N(C3=O)CCO)C(=O)c1ccccc1CC2)c1cccc2ccccc12)C.N1(C[C@H]([C@@]2([C@@]31c1ccccc1N(C3=O)CCO)C(=O)c1ccccc1CC2)c1cccc2ccccc12)C |
Title of publication | 1-(2-Hydroxyethyl)-1'-methyl-4'-(naphthalen-1-yl)-1'',2'',3'',4''-tetrahydrodispiro[indoline-3,2'-pyrrolidine-3',2''-naphthalene]-2,1''-dione |
Authors of publication | Selvanayagam, S.; Sridhar, B.; Saravanan, P.; Raghunathan, R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | o800 - o801 |
a | 12.0236 ± 0.0018 Å |
b | 14.054 ± 0.002 Å |
c | 15.95 ± 0.002 Å |
α | 90° |
β | 107.796 ± 0.002° |
γ | 90° |
Cell volume | 2566.3 ± 0.6 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 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 | 0.0537 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1213 |
Weighted residual factors for all reflections included in the refinement | 0.1302 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/2233754.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.