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Information card for entry 4026445
Preview
Coordinates | 4026445.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H62 B F6 N3 O3 |
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Calculated formula | C45 H62 B F6 N3 O3 |
Title of publication | Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents |
Authors of publication | Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 5177 - 5184 |
a | 8.626 ± 0.002 Å |
b | 9.917 ± 0.004 Å |
c | 28.029 ± 0.008 Å |
α | 96.182 ± 0.013° |
β | 91.135 ± 0.012° |
γ | 112.602 ± 0.013° |
Cell volume | 2195.8 ± 1.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0699 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1508 |
Weighted residual factors for all reflections included in the refinement | 0.1693 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoK? |
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/4026445.html
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structural data.