Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1506020
Preview
| Coordinates | 1506020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H20 O3 |
|---|---|
| Calculated formula | C28 H20 O3 |
| Title of publication | Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone. |
| Authors of publication | Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 14 |
| Pages of publication | 2941 - 2944 |
| a | 9.7039 ± 0.0006 Å |
| b | 10.3408 ± 0.0007 Å |
| c | 11.1503 ± 0.0007 Å |
| α | 66.837 ± 0.001° |
| β | 76.731 ± 0.001° |
| γ | 76.498 ± 0.001° |
| Cell volume | 988.33 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506020.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506020.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506020.cif |
| 47933 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506020, 1506021, 1506022, 1506023, 1506024 via cif-deposit CGI script. |
1506020.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.