Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2200455
Preview
| Coordinates | 2200455.cif |
|---|---|
| Structure factors | 2200455.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Benzylidene-1'-methyl-4'-phenylcyclohexanespiro-3'-pyrrolidine-2'-spiro- 3''-indoline-2,2''-dione |
|---|---|
| Formula | C30 H28 N2 O2 |
| Calculated formula | C30 H28 N2 O2 |
| SMILES | O=C1[C@]2([C@@]3(N(C[C@@H]2c2ccccc2)C)C(=O)Nc2ccccc32)CCCC\1=C/c1ccccc1.O=C1[C@@]2([C@]3(N(C[C@H]2c2ccccc2)C)C(=O)Nc2ccccc32)CCC/C1=C\c1ccccc1 |
| Title of publication | 3-Benzylidene-1'-methyl-4'-phenylcyclohexanespiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione |
| Authors of publication | Jeyabharathi, A.; Ponnuswamy, M. N.; Amal Raj, A.; Raghunathan, R.; Razak, Ibrahim Abdul; Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | o901 - o903 |
| a | 12.3624 ± 0.0001 Å |
| b | 13.064 ± 0.0002 Å |
| c | 17.1439 ± 0.0003 Å |
| α | 110.066 ± 0.001° |
| β | 93.2 ± 0.001° |
| γ | 110.534 ± 0.001° |
| Cell volume | 2386.13 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.104 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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.