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Information card for entry 7156722
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Coordinates | 7156722.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,10,15-tris(4'-methoxyphenyl)-5-(2''-pyrrolyl)isocorrole |
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Formula | C45 H37 Cl2 N5 O3 |
Calculated formula | C45 H37 Cl2 N5 O3 |
Title of publication | Rapid one-pot synthesis of pyrrole-appended isocorroles. |
Authors of publication | Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 12 |
Pages of publication | 3159 - 3166 |
a | 9.7321 ± 0.0006 Å |
b | 12.1142 ± 0.0007 Å |
c | 16.7703 ± 0.001 Å |
α | 85.618 ± 0.002° |
β | 85.655 ± 0.002° |
γ | 70.199 ± 0.002° |
Cell volume | 1852.2 ± 0.19 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 | 0.097 |
Residual factor for significantly intense reflections | 0.0814 |
Weighted residual factors for significantly intense reflections | 0.1996 |
Weighted residual factors for all reflections included in the refinement | 0.2088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7156722.html
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