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Information card for entry 4023657
Preview
| Coordinates | 4023657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114 H115 F12 N5 O16 P2 |
|---|---|
| Calculated formula | C114 H115 F12 N5 O16 P2 |
| Title of publication | Guest-Dependent Complexation of Triptycene-Based Macrotricyclic Host with Paraquat Derivatives and Secondary Ammonium Salts: A Chemically Controlled Complexation Process |
| Authors of publication | Jian-Min Zhao; Qian-Shou Zong; Tao Han; Jun-Feng Xiang; Chuan-Feng Chen |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2008 |
| Journal volume | 73 |
| Pages of publication | 6800 - 6806 |
| a | 20.274 ± 0.003 Å |
| b | 20.198 ± 0.003 Å |
| c | 29.295 ± 0.005 Å |
| α | 90° |
| β | 107.146 ± 0.002° |
| γ | 90° |
| Cell volume | 11464 ± 3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1299 |
| Residual factor for significantly intense reflections | 0.1033 |
| Weighted residual factors for significantly intense reflections | 0.2831 |
| Weighted residual factors for all reflections included in the refinement | 0.3094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178415 (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 4/02/36. |
4023657.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4023657.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4023657.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. |
4023657.cif |
| 762 | 2009-06-20 | cif/4/: Adding CIFs from the J-Org-Chem-2008 deposition. |
4023657.cif |
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Users of the data should acknowledge the original authors of the
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