Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559813
Preview
| Coordinates | 1559813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 O7 |
|---|---|
| Calculated formula | C16 H16 O7 |
| Title of publication | NMR Structure Elucidation of Naphthoquinones from Quambalaria cyanescens |
| Authors of publication | Procházková, Eliška; Kucherak, Oleksandr; Stodůlková, Eva; Tošner, Zdeněk; Císařová, Ivana; Flieger, Miroslav; Kolařík, Miroslav; Baszczyňski, Ondřej |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 10.4098 ± 0.0005 Å |
| b | 21.2446 ± 0.0011 Å |
| c | 21.6607 ± 0.0012 Å |
| α | 68.899 ± 0.003° |
| β | 86.272 ± 0.003° |
| γ | 81.935 ± 0.003° |
| Cell volume | 4424.4 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.235 |
| Residual factor for significantly intense reflections | 0.1091 |
| Weighted residual factors for significantly intense reflections | 0.2562 |
| Weighted residual factors for all reflections included in the refinement | 0.312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.236 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260022 (current) | 2020-12-20 | cif/ Adding structures of 1559813 via cif-deposit CGI script. |
1559813.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.