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Information card for entry 1550382
Preview
| Coordinates | 1550382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H87 Cl4 N7 O6 P2 |
|---|---|
| Calculated formula | C74 H87 Cl4 N7 O6 P2 |
| Title of publication | Efficient Hydrogen Bonding Recognition in Water using Aryl-extended Calix[4]pyrrole Receptors |
| Authors of publication | Peñuelas-Haro, Guillem; Ballester, Pablo |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 19.6411 ± 0.0004 Å |
| b | 19.6411 ± 0.0004 Å |
| c | 18.4185 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7105.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 109 |
| Hermann-Mauguin space group symbol | I 41 m d |
| Hall space group symbol | I 4bw -2 |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1483 |
| Weighted residual factors for all reflections included in the refinement | 0.1526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212740 (current) | 2018-12-22 | cif/ Adding structures of 1550381, 1550382 via cif-deposit CGI script. |
1550382.cif |
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