Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240899
Preview
| Coordinates | 2240899.cif |
|---|---|
| Structure factors | 2240899.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-(Acetoxyimino)-<i>N</i>-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
|---|---|
| Formula | C26 H32 N3 O2 S |
| Calculated formula | C26 H32 N3 O2 S |
| Title of publication | Crystal structure of (<i>E</i>)-4-(acetoxyimino)-<i>N</i>-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| Authors of publication | Mohandas, T.; Krishnan, K. Gokula; Balamurugan, S.; Harrison, William T. A.; Thanikachalam, V.; Sakthivel, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o542 - o543 |
| a | 12.0434 ± 0.0006 Å |
| b | 14.0479 ± 0.0007 Å |
| c | 15.274 ± 0.0007 Å |
| α | 82.161 ± 0.002° |
| β | 72.463 ± 0.002° |
| γ | 80.094 ± 0.002° |
| Cell volume | 2417.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1152 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240899.cif 2240899.hkl |
| 139975 | 2015-07-04 | cif/ hkl/ Adding structures of 2240899 via cif-deposit CGI script. |
2240899.cif 2240899.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.