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Information card for entry 7703505
Preview
| Coordinates | 7703505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H72 N8 |
|---|---|
| Calculated formula | C52 H72 N8 |
| Title of publication | Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups. |
| Authors of publication | Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 10 |
| Pages of publication | 3112 - 3119 |
| a | 17.703 ± 0.002 Å |
| b | 17.703 ± 0.002 Å |
| c | 14.619 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4581.5 ± 1.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 81 |
| Hermann-Mauguin space group symbol | P -4 |
| Hall space group symbol | P -4 |
| Residual factor for all reflections | 0.2344 |
| Residual factor for significantly intense reflections | 0.099 |
| Weighted residual factors for significantly intense reflections | 0.2147 |
| Weighted residual factors for all reflections included in the refinement | 0.2843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
7703505.cif |
| 250271 | 2020-04-05 | cif/ Updating files of 7703501, 7703502, 7703503, 7703504, 7703505, 7703506, 7703507, 7703508 Original log message: Adding full bibliography for 7703501--7703508.cif. |
7703505.cif |
| 248109 | 2020-02-13 | cif/ Adding structures of 7703501, 7703502, 7703503, 7703504, 7703505, 7703506, 7703507, 7703508 via cif-deposit CGI script. |
7703505.cif |
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Users of the data should acknowledge the original authors of the
structural data.