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Information card for entry 1544044
Preview
| Coordinates | 1544044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136.5 H112 Cl4 N10 O2 |
|---|---|
| Calculated formula | C136.5 H112 Cl4 N10 O2 |
| Title of publication | A chiral “Siamese-Twin” calix[4]pyrrole tetramer |
| Authors of publication | Galán, Albano; Aragay, Gemma; Ballester, Pablo |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 5976 |
| a | 11.145 ± 0.0007 Å |
| b | 24.8685 ± 0.0014 Å |
| c | 20.3023 ± 0.0012 Å |
| α | 90° |
| β | 105.745 ± 0.002° |
| γ | 90° |
| Cell volume | 5415.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1263 |
| Residual factor for significantly intense reflections | 0.0952 |
| Weighted residual factors for significantly intense reflections | 0.2438 |
| Weighted residual factors for all reflections included in the refinement | 0.2659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186284 (current) | 2016-09-08 | cif/ Adding structures of 1544044, 1544045 via cif-deposit CGI script. |
1544044.cif |
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