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Information card for entry 7118609
Preview
| Coordinates | 7118609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H37 Al N2 O7 |
|---|---|
| Calculated formula | C34 H37 Al N2 O7 |
| SMILES | [Al]123(Oc4c(c5[n]2c(=C(c2c(cc(cc2C)C)C)c2n3c(c3c(O1)c(OC)ccc3)cc2)cc5)cccc4OC)([OH2])[OH]C.OC |
| Title of publication | Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions. |
| Authors of publication | Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 21 |
| Pages of publication | 4014 - 4017 |
| a | 11.5013 ± 0.0005 Å |
| b | 11.9173 ± 0.0005 Å |
| c | 13.3035 ± 0.0006 Å |
| α | 102.745 ± 0.002° |
| β | 106.178 ± 0.002° |
| γ | 112.038 ± 0.002° |
| Cell volume | 1511.12 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1108 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1634 |
| Weighted residual factors for all reflections included in the refinement | 0.1942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181557 (current) | 2016-04-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118609.cif |
| 177683 | 2016-03-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118609.cif |
| 175046 | 2016-01-26 | cif/ Adding structures of 7118609, 7118610, 7118611, 7118612, 7118613 via cif-deposit CGI script. |
7118609.cif |
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Users of the data should acknowledge the original authors of the
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