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Information card for entry 7212520
Preview
Coordinates | 7212520.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H24 O8 |
---|---|
Calculated formula | C16 H24 O8 |
SMILES | [C@H]12OCCC[C@@H]1OC(=O)COC[C@@H]1[C@H](CCCO1)OC(=O)COC2 |
Title of publication | Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions |
Authors of publication | Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 3676 |
a | 16.546 ± 0.007 Å |
b | 4.49 ± 0.001 Å |
c | 14.124 ± 0.007 Å |
α | 90° |
β | 125.5 ± 0.03° |
γ | 90° |
Cell volume | 854.2 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1629 |
Weighted residual factors for all reflections included in the refinement | 0.1672 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.261 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7212517 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7212520.html
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Users of the data should acknowledge the original authors of the
structural data.