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Information card for entry 7118611
Preview
| Coordinates | 7118611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H59 Al2 N4 Na O11 |
|---|---|
| Calculated formula | C64 H55 Al2 N4 Na O11 |
| SMILES | c12C(c3c(C)cc(cc3C)C)=c3[n]4c(cc3)c3cccc5[O]6[Na]789%10([OH2])[O]([Al]4%11(n1c(c1c(c(ccc1)[O]%10c1c4c(ccc1)c1[n]%10c(=C(c%12n%13c(c%14c(c6ccc%14)[O]8[Al]%10%13([O]94)([OH]C)[OH]C)cc%12)c4c(C)cc(cc4C)C)cc1)[O]7%11)cc2)([OH]C)[OH]C)c35 |
| 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 | 24.6207 ± 0.0014 Å |
| b | 7.271 ± 0.003 Å |
| c | 35.445 ± 0.006 Å |
| α | 90° |
| β | 111.987 ± 0.003° |
| γ | 90° |
| Cell volume | 5884 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1919 |
| Residual factor for significantly intense reflections | 0.1208 |
| Weighted residual factors for significantly intense reflections | 0.3497 |
| Weighted residual factors for all reflections included in the refinement | 0.3923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7118611.cif |
| 177683 | 2016-03-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118611.cif |
| 175046 | 2016-01-26 | cif/ Adding structures of 7118609, 7118610, 7118611, 7118612, 7118613 via cif-deposit CGI script. |
7118611.cif |
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Users of the data should acknowledge the original authors of the
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