Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019914
Preview
| Coordinates | 2019914.cif |
|---|---|
| Structure factors | 2019914.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-ethoxy-2-phenylacetate |
|---|---|
| Formula | C25 H30 N2 O6 |
| Calculated formula | C25 H30 N2 O6 |
| SMILES | [C@]1(c2ccccc2N(C1=O)C)([C@](c1ccccc1)(C(=O)OC)OCC)NC(=O)OC(C)(C)C.[C@@]1(c2ccccc2N(C1=O)C)([C@@](c1ccccc1)(C(=O)OC)OCC)NC(=O)OC(C)(C)C |
| Title of publication | Four oxoindole-linked α-alkoxy-β-amino acid derivatives |
| Authors of publication | Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 322 - 329 |
| a | 11.2274 ± 0.0014 Å |
| b | 13.3892 ± 0.0017 Å |
| c | 16.849 ± 0.002 Å |
| α | 91.475 ± 0.002° |
| β | 92.646 ± 0.002° |
| γ | 106.889 ± 0.002° |
| Cell volume | 2419 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.1187 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019914.cif 2019914.hkl |
| 180867 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/99. |
2019914.cif 2019914.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019914.cif 2019914.hkl |
| 134582 | 2015-04-02 | cif/ hkl/ Adding structures of 2019913, 2019914, 2019915, 2019916 via cif-deposit CGI script. |
2019914.cif 2019914.hkl |
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.