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Information card for entry 7118612
Preview
| Coordinates | 7118612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H50 N4 O6 |
|---|---|
| Calculated formula | C60 H48 N4 O7 |
| SMILES | Oc1c2c3[nH]c(C(=c4nc(c5c(O)c(Oc6c(O)c(c7nc(=C(c8[nH]c(c9c(O)c(Oc1ccc2)ccc9)cc8)c1c(C)cc(cc1C)C)cc7)ccc6)ccc5)cc4)c1c(cc(cc1C)C)C)cc3.O |
| 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 | 23.498 ± 0.004 Å |
| b | 38.393 ± 0.007 Å |
| c | 23.36 ± 0.004 Å |
| α | 90° |
| β | 91.08 ± 0.003° |
| γ | 90° |
| Cell volume | 21071 ± 6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0989 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1701 |
| Weighted residual factors for all reflections included in the refinement | 0.1857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193656 (current) | 2017-03-04 | cif/7: Fixing Z values and formulae |
7118612.cif |
| 181557 | 2016-04-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118612.cif |
| 177683 | 2016-03-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118612.cif |
| 175046 | 2016-01-26 | cif/ Adding structures of 7118609, 7118610, 7118611, 7118612, 7118613 via cif-deposit CGI script. |
7118612.cif |
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Users of the data should acknowledge the original authors of the
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