Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559476
Preview
| Coordinates | 1559476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H19 N O5 |
|---|---|
| Calculated formula | C14 H19 N O5 |
| Title of publication | Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles |
| Authors of publication | Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc |
| Journal of publication | Symmetry |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 1714 |
| a | 11.1004 ± 0.0009 Å |
| b | 11.3611 ± 0.0008 Å |
| c | 13.2166 ± 0.0009 Å |
| α | 65.35 ± 0.003° |
| β | 89.871 ± 0.004° |
| γ | 81.713 ± 0.003° |
| Cell volume | 1495.97 ± 0.19 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 | 0.0926 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259006 (current) | 2020-11-06 | cif/ Adding structures of 1559476 via cif-deposit CGI script. |
1559476.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.