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Information card for entry 4026441
Preview
Coordinates | 4026441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H25 B F2 N2 O2 |
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Calculated formula | C27 H25 B F2 N2 O2 |
SMILES | F[B]1([O]=C(c2[nH]c(c3ccccc3)c(c2C)C)C=C(O1)c1[nH]c(c2ccccc2)c(c1C)C)F |
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 | 8.236 ± 0.003 Å |
b | 16.744 ± 0.006 Å |
c | 17.667 ± 0.007 Å |
α | 109.518 ± 0.012° |
β | 101.221 ± 0.013° |
γ | 95.073 ± 0.012° |
Cell volume | 2221.2 ± 1.5 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 | 0.1312 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.1527 |
Weighted residual factors for all reflections included in the refinement | 0.1881 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoK? |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026441.html
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Users of the data should acknowledge the original authors of the
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