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Information card for entry 7151575
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| Coordinates | 7151575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [C60F15{C(CO2Et)3}3].2(CDCl3) |
|---|---|
| Formula | C92 H45 Cl6 D2 F15 O18 |
| Calculated formula | C92 H47 Cl6 F15 O18 |
| Title of publication | Design and synthesis of multi-component 18 pi annulenic fluorofullerene ensembles suitable for donor-acceptor applications. |
| Authors of publication | Burley, Glenn A.; Avent, Anthony G.; Gol'dt, Ilya V.; Hitchcock, Peter B.; Al-Matar, Hamad; Paolucci, Demis; Paolucci, Francesco; Fowler, Patrick W.; Soncini, Alessandro; Street, Joan M.; Taylor, Roger |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2004 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | 319 - 329 |
| a | 14.2716 ± 0.0002 Å |
| b | 17.0905 ± 0.0003 Å |
| c | 17.5293 ± 0.0002 Å |
| α | 76.145 ± 0.001° |
| β | 74.066 ± 0.001° |
| γ | 80.183 ± 0.001° |
| Cell volume | 3966.45 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1172 |
| Residual factor for significantly intense reflections | 0.0902 |
| Weighted residual factors for significantly intense reflections | 0.2301 |
| Weighted residual factors for all reflections included in the refinement | 0.2518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151575.cif |
| 171654 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 7, 8. |
7151575.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151575.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151575.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151575.cif |
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Users of the data should acknowledge the original authors of the
structural data.