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Information card for entry 7059914
Preview
| Coordinates | 7059914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H94 N8 O8 |
|---|---|
| Calculated formula | C58 H94 N8 O8 |
| Title of publication | Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies |
| Authors of publication | Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 38 |
| Pages of publication | 16294 - 16301 |
| a | 15.0086 ± 0.0013 Å |
| b | 9.8413 ± 0.0005 Å |
| c | 20.6682 ± 0.0016 Å |
| α | 90° |
| β | 99.841 ± 0.008° |
| γ | 90° |
| Cell volume | 3007.9 ± 0.4 Å3 |
| Cell temperature | 295 ± 1 K |
| Ambient diffraction temperature | 295 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1354 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.2218 |
| Weighted residual factors for all reflections included in the refinement | 0.2708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059914.cif |
| 258941 | 2020-11-06 | cif/ Updating files of 7059910, 7059911, 7059912, 7059913, 7059914, 7059915, 7059916, 7059917, 7059918, 7059919, 7059920, 7059921 Original log message: Adding full bibliography for 7059910--7059921.cif. |
7059914.cif |
| 255473 | 2020-08-20 | cif/ Adding structures of 7059910, 7059911, 7059912, 7059913, 7059914, 7059915, 7059916, 7059917, 7059918, 7059919, 7059920, 7059921 via cif-deposit CGI script. |
7059914.cif |
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Users of the data should acknowledge the original authors of the
structural data.