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Information card for entry 4508793
Preview
| Coordinates | 4508793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate |
|---|---|
| Formula | C30 H30 O8 |
| Calculated formula | C30 H30 O8 |
| Title of publication | Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane |
| Authors of publication | Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 2523 |
| a | 10.574 ± 0.016 Å |
| b | 10.873 ± 0.018 Å |
| c | 11.819 ± 0.019 Å |
| α | 101.89 ± 0.12° |
| β | 94 ± 0.2° |
| γ | 98.25 ± 0.13° |
| Cell volume | 1309 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1379 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.1734 |
| Weighted residual factors for all reflections included in the refinement | 0.2141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4508793.cif |
| 179623 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/87. |
4508793.cif |
| 96934 | 2014-01-29 | cif/ Adding structures of 4508793 via cif-deposit CGI script. |
4508793.cif |
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Users of the data should acknowledge the original authors of the
structural data.