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Information card for entry 4116420
Preview
Coordinates | 4116420.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H44 F6 K N4 O4 P |
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Calculated formula | C32 H44 F6 K N4 O4 P |
SMILES | [P](F)(F)(F)(F)(F)[F-].c12ccccc1[nH]cc2CC[N]1([K]23456)CC[O]2CC[O]3CC[N]4(CCc2c3ccccc3[nH]c2)CC[O]5CC[O]6CC1 |
Title of publication | Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan |
Authors of publication | Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 5613 - 5614 |
a | 10.9698 ± 0.0008 Å |
b | 13.0812 ± 0.0009 Å |
c | 11.9828 ± 0.0009 Å |
α | 90° |
β | 95.062 ± 0.001° |
γ | 90° |
Cell volume | 1712.8 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4116420.html
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