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Information card for entry 7705385
Preview
| Coordinates | 7705385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H26 F12 N2 O5 |
|---|---|
| Calculated formula | C18 H26 F12 N2 O5 |
| SMILES | N1(CCOCCOCCN(CCOCC1)CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F |
| Title of publication | Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s. |
| Authors of publication | Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 37 |
| Pages of publication | 13017 - 13028 |
| a | 6.6356 ± 0.0008 Å |
| b | 12.769 ± 0.0014 Å |
| c | 15.2327 ± 0.0015 Å |
| α | 68.157 ± 0.003° |
| β | 84.686 ± 0.003° |
| γ | 83.583 ± 0.004° |
| Cell volume | 1188.7 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0624 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705385.cif |
| 257509 | 2020-10-06 | cif/ Updating files of 7705378, 7705379, 7705380, 7705381, 7705382, 7705383, 7705384, 7705385, 7705386, 7705387, 7705388, 7705389 Original log message: Adding full bibliography for 7705378--7705389.cif. |
7705385.cif |
| 256215 | 2020-09-08 | cif/ Adding structures of 7705378, 7705379, 7705380, 7705381, 7705382, 7705383, 7705384, 7705385, 7705386, 7705387, 7705388, 7705389 via cif-deposit CGI script. |
7705385.cif |
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