Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239114
Preview
| Coordinates | 7239114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (6aS,7aR,14aR)-2-nitro-6a,7,7a,12,13,14a-hexahydro-6H-chromeno[3',4':4,5] pyrrolo[2,1-a]isoquinoline |
|---|---|
| Formula | C19 H18 N2 O3 |
| Calculated formula | C19 H18 N2 O3 |
| Title of publication | A convenient 1,3-dipolar cycloaddition‒reduction synthetic sequence from 2-allyloxy-5-nitro-salicylaldehyde to aminobenzopyran-annulated heterocycles |
| Authors of publication | Parmar, Narsidas J.; Pansuriya, Bhavesh R.; Labana, Balvantsingh M.; Kant, Rajni; Gupta, Vivek K. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 38 |
| Pages of publication | 17527 |
| a | 13.9267 ± 0.0006 Å |
| b | 8.4827 ± 0.0003 Å |
| c | 13.6567 ± 0.0005 Å |
| α | 90° |
| β | 103.56 ± 0.004° |
| γ | 90° |
| Cell volume | 1568.38 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1039 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244552 (current) | 2019-11-28 | cif/ Adding structures of 7239114 via cif-deposit CGI script. |
7239114.cif |
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.