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Information card for entry 7705120
Preview
| Coordinates | 7705120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H26 N2 O4 |
|---|---|
| Calculated formula | C24 H26 N2 O4 |
| SMILES | COC(=O)c1ccc(C23CC4CC(C2)(CC(C3)C4)c2ccc(cn2)C(=O)OC)nc1 |
| Title of publication | Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand. |
| Authors of publication | Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 34 |
| Pages of publication | 12009 - 12017 |
| a | 6.2054 ± 0.0003 Å |
| b | 10.1555 ± 0.0005 Å |
| c | 16.7307 ± 0.0009 Å |
| α | 83.35 ± 0.004° |
| β | 80.041 ± 0.004° |
| γ | 76.055 ± 0.004° |
| Cell volume | 1004.82 ± 0.09 Å3 |
| Cell temperature | 99.97 ± 0.1 K |
| Ambient diffraction temperature | 99.97 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7705120.cif |
| 256110 | 2020-09-06 | cif/ Updating files of 7705120, 7705121, 7705122, 7705123, 7705124, 7705125, 7705126, 7705127, 7705128, 7705129 Original log message: Adding full bibliography for 7705120--7705129.cif. |
7705120.cif |
| 255281 | 2020-08-13 | cif/ Adding structures of 7705120, 7705121, 7705122, 7705123, 7705124, 7705125, 7705126, 7705127, 7705128, 7705129 via cif-deposit CGI script. |
7705120.cif |
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Users of the data should acknowledge the original authors of the
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