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Information card for entry 4121508
Preview
Coordinates | 4121508.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H27 N7 |
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Calculated formula | C31 H27 N7 |
SMILES | c1cc(/C=N/N(C)c2cccc(n2)c2ccccc2)nc(c1)/C=N/N(C)c1cccc(n1)c1ccccc1 |
Title of publication | Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands. |
Authors of publication | Stadler, Adrian-Mihail; Lehn, Jean-Marie P |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 9 |
Pages of publication | 3400 - 3409 |
a | 16.706 ± 0.0004 Å |
b | 10.6702 ± 0.0004 Å |
c | 14.0656 ± 0.0004 Å |
α | 90° |
β | 97.273 ± 0.005° |
γ | 90° |
Cell volume | 2487.11 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0914 |
Residual factor for significantly intense reflections | 0.0563 |
Weighted residual factors for significantly intense reflections | 0.1178 |
Weighted residual factors for all reflections included in the refinement | 0.1305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4121508.html
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