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Information card for entry 4024177
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Coordinates | 4024177.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C111 H114 N21 O10 P |
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Calculated formula | C111 H114 N21 O10 P |
Title of publication | Synthetic Model of the Phosphate Binding Protein: Solid-State Structure and Solution-Phase Anion Binding Properties of a Large Oligopyrrolic Macrocycle |
Authors of publication | Evgeny A. Katayev; Jonathan L. Sessler; Victor N. Khrustalev; Yuri A. Ustynyuk |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 7244 - 7252 |
a | 21.414 ± 0.004 Å |
b | 23.166 ± 0.004 Å |
c | 24.601 ± 0.005 Å |
α | 88.98 ± 0.005° |
β | 78.128 ± 0.005° |
γ | 84.935 ± 0.005° |
Cell volume | 11896 ± 4 Å3 |
Cell temperature | 120 ± 0.2 K |
Ambient diffraction temperature | 120 ± 0.2 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 | 0.2392 |
Residual factor for significantly intense reflections | 0.0996 |
Weighted residual factors for significantly intense reflections | 0.1596 |
Weighted residual factors for all reflections included in the refinement | 0.1837 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/4024177.html
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Users of the data should acknowledge the original authors of the
structural data.