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Information card for entry 4511525
Preview
| Coordinates | 4511525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H20 O9 |
|---|---|
| Calculated formula | C33 H20 O9 |
| Title of publication | Layered Compounds Incorporating 9,9‘-Spirobifluorene: Hydrogen-Bonded and Metal−Organic Networks Derived from 9,9‘-Spirobifluorene-2,2‘,7,7‘-tetracarboxylic Acid |
| Authors of publication | Clews, Peter K.; Douthwaite, Richard E.; Kariuki, Benson M.; Moore, Terry; Taboada, Miguel |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 9 |
| Pages of publication | 1991 |
| a | 10.6433 ± 0.0007 Å |
| b | 17.6587 ± 0.0009 Å |
| c | 39.085 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7345.9 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for all reflections | 0.2683 |
| Residual factor for significantly intense reflections | 0.1919 |
| Weighted residual factors for significantly intense reflections | 0.4323 |
| Weighted residual factors for all reflections included in the refinement | 0.4975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.492 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4511525.cif |
| 179662 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/15. |
4511525.cif |
| 118643 | 2014-06-30 | cif/ Adding structures of 4511525, 4511526 via cif-deposit CGI script. |
4511525.cif |
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Users of the data should acknowledge the original authors of the
structural data.