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Information card for entry 4516266
Preview
Coordinates | 4516266.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35.5 H53 N2 O9.5 |
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Calculated formula | C35.5 H53 N2 O9.5 |
SMILES | c1(c(c(cc(c1)c1ccc(cc1)c1cc(c(c(c1)O)O)O)O)O)O.[N+](CCCC)(CCCC)(CCCC)CCCC.O=N(=O)[O-].O=C(C)C |
Title of publication | Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds |
Authors of publication | White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 3 |
Pages of publication | 1540 |
a | 13.963 ± 0.004 Å |
b | 18.833 ± 0.005 Å |
c | 14.46 ± 0.004 Å |
α | 90° |
β | 108.723 ± 0.006° |
γ | 90° |
Cell volume | 3601.3 ± 1.7 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for all reflections | 0.0792 |
Weighted residual factors for significantly intense reflections | 0.0789 |
Weighted residual factors for all reflections included in the refinement | 0.0791 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9449 |
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/4516266.html
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