Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236274
Preview
| Coordinates | 7236274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pararunine A |
|---|---|
| Formula | C37 H52 O13 |
| Calculated formula | C37 H52 O13 |
| Title of publication | Sesquiterpenoids and monoterpenoid coumarins from Parasenecio rubescens |
| Authors of publication | Jin, An; Wu, Wenming; Ruan, Hanli |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 5167 |
| a | 12.2069 ± 0.0002 Å |
| b | 14.3991 ± 0.0002 Å |
| c | 22.218 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3905.22 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1657 |
| Weighted residual factors for all reflections included in the refinement | 0.1686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235342 (current) | 2019-11-23 | cif/ Adding structures of 7236274 via cif-deposit CGI script. |
7236274.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.