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Information card for entry 4029517
Preview
Coordinates | 4029517.cif |
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Original paper (by DOI) | HTML |
Formula | C127.85 H148.7 Cl3.45 N15.85 O25 |
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Calculated formula | C127.85 H148.7 Cl3.45 N15.85 O25 |
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 | 17.391 ± 0.002 Å |
b | 18.813 ± 0.002 Å |
c | 21.08 ± 0.003 Å |
α | 75.75 ± 0.004° |
β | 80.301 ± 0.004° |
γ | 64.164 ± 0.004° |
Cell volume | 6001.7 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1716 |
Residual factor for significantly intense reflections | 0.1183 |
Weighted residual factors for significantly intense reflections | 0.3114 |
Weighted residual factors for all reflections included in the refinement | 0.344 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/4029517.html
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