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Information card for entry 4024882
Preview
| Coordinates | 4024882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H148 Br4 N20 O37 P6 |
|---|---|
| Calculated formula | C78 H130 Br4 N20 O37 P6 |
| Title of publication | Exploring the Binding Ability of Phenanthroline-Based Polyammonium Receptors for Anions: Hints for Design of Selective Chemosensors for Nucleotides |
| Authors of publication | Carla Bazzicalupi; Andrea Bencini; Silvia Biagini; Enrico Faggi; Stefano Meini; Claudia Giorgi; Alessio Spepi; Barbara Valtancoli |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 7349 - 7363 |
| a | 13.1824 ± 0.0008 Å |
| b | 14.2832 ± 0.0009 Å |
| c | 17.092 ± 0.001 Å |
| α | 91.782 ± 0.005° |
| β | 109.531 ± 0.005° |
| γ | 115.968 ± 0.006° |
| Cell volume | 2666.3 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1686 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.1769 |
| Weighted residual factors for all reflections included in the refinement | 0.218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178427 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/48. |
4024882.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024882.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024882.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024882.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024882.cif |
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Users of the data should acknowledge the original authors of the
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