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Information card for entry 4131268
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Coordinates | 4131268.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C89 H134 N19 O16.5 S2 |
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Calculated formula | C89 H143 N19 O16.5 S2 |
Title of publication | A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity. |
Authors of publication | He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 21 |
Pages of publication | 7140 - 7143 |
a | 14.6287 ± 0.0007 Å |
b | 18.6066 ± 0.0008 Å |
c | 20.5602 ± 0.0007 Å |
α | 82.347 ± 0.003° |
β | 87.749 ± 0.003° |
γ | 88.425 ± 0.004° |
Cell volume | 5540.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 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 | 0.1672 |
Residual factor for significantly intense reflections | 0.1084 |
Weighted residual factors for significantly intense reflections | 0.2912 |
Weighted residual factors for all reflections included in the refinement | 0.3339 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4131268.html
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Users of the data should acknowledge the original authors of the
structural data.