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Information card for entry 7115710
Preview
Coordinates | 7115710.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H40 N6 O6 |
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Calculated formula | C36 H40 N6 O6 |
SMILES | C(=O)c1ccc(C(c2ccc(C=O)[nH]2)(C)c2cc(ccc2)C(c2ccc(C=O)[nH]2)(c2ccc(C=O)[nH]2)C)[nH]1.C(=O)N(C)C.C(=O)N(C)C |
Title of publication | Conformationally switchable non-cyclic tetrapyrrole receptors: synthesis of tetrakis(1H-pyrrole-2-carbaldehyde) derivatives and their anion binding properties |
Authors of publication | Murat K. Deliomeroglu; Vincent M. Lynch; Jonathan L. Sessler |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 11863 |
a | 15.1665 ± 0.0012 Å |
b | 17.7506 ± 0.0016 Å |
c | 24.997 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6729.6 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1068 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.1114 |
Weighted residual factors for all reflections included in the refinement | 0.1226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7115710.html
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