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Information card for entry 8107057
Preview
| Coordinates | 8107057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H46 N2 O4 |
|---|---|
| Calculated formula | C42 H46 N2 O4 |
| Title of publication | Crystal structure of 5,17-bis-cyano-25,26,27,28-tetrapropyloxy-calix[4]arene, C42H46N2O4 |
| Authors of publication | Elaieb, Fethi; Sémeril, David; Matt, Dominique; Hedhli, Ahmed |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 943 - 945 |
| a | 14.91 ± 0.0005 Å |
| b | 17.2508 ± 0.0006 Å |
| c | 16.0857 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4137.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.2152 |
| Weighted residual factors for all reflections included in the refinement | 0.2308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282473 (current) | 2023-04-06 | cif/ Adding structures of 8107057 via cif-deposit CGI script. |
8107057.cif |
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