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Information card for entry 7118613
Preview
| Coordinates | 7118613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H30 N2 O4 |
|---|---|
| Calculated formula | C32 H29 N2 O4 |
| SMILES | O(C)c1c(O)c(c2nc(=C(c3[nH]c(c4c(O)c(OC)ccc4)cc3)c3c(cc(cc3C)C)C)cc2)ccc1 |
| 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 | 13.3625 ± 0.0009 Å |
| b | 13.7619 ± 0.0009 Å |
| c | 28.7802 ± 0.0018 Å |
| α | 90° |
| β | 90.967 ± 0.003° |
| γ | 90° |
| Cell volume | 5291.7 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1468 |
| Residual factor for significantly intense reflections | 0.0969 |
| Weighted residual factors for significantly intense reflections | 0.2289 |
| Weighted residual factors for all reflections included in the refinement | 0.2529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.428 |
| 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 |
7118613.cif |
| 181557 | 2016-04-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118613.cif |
| 177683 | 2016-03-05 | cif/ Updating files of 7118609, 7118610, 7118611, 7118612, 7118613 Original log message: Adding full bibliography for 7118609--7118613.cif. |
7118613.cif |
| 175046 | 2016-01-26 | cif/ Adding structures of 7118609, 7118610, 7118611, 7118612, 7118613 via cif-deposit CGI script. |
7118613.cif |
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Users of the data should acknowledge the original authors of the
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