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Information card for entry 4029516
Preview
Coordinates | 4029516.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C140.75 H156.75 Cl5.25 N15 O9 |
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Calculated formula | C140.76 H156.76 Cl5.27 N15 O9 |
Title of publication | Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold. |
Authors of publication | Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 12 |
Pages of publication | 5545 - 5557 |
a | 18.928 ± 0.002 Å |
b | 33.493 ± 0.004 Å |
c | 20.956 ± 0.002 Å |
α | 90° |
β | 94.462 ± 0.004° |
γ | 90° |
Cell volume | 13245 ± 2 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 | 0.2054 |
Residual factor for significantly intense reflections | 0.1398 |
Weighted residual factors for significantly intense reflections | 0.3747 |
Weighted residual factors for all reflections included in the refinement | 0.4022 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.32 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029516.html
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