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Information card for entry 7118610
Preview
| Coordinates | 7118610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H27 B N2 O4 |
|---|---|
| Calculated formula | C32 H27 B N2 O4 |
| SMILES | O(C)c1c2O[B]34Oc5c(OC)cccc5c5[n]4c(=C(c4n3c(c2ccc1)cc4)c1c(cc(C)cc1C)C)cc5 |
| 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 | 17.1558 ± 0.0006 Å |
| b | 11.8814 ± 0.0004 Å |
| c | 24.8691 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5069.2 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0845 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1454 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118610.cif |
| 181557 | 2016-04-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118610.cif |
| 177683 | 2016-03-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118610.cif |
| 175046 | 2016-01-26 | cif/ Adding structures of 7118609, 7118610, 7118611, 7118612, 7118613 via cif-deposit CGI script. |
7118610.cif |
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