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Information card for entry 7212518
Preview
Coordinates | 7212518.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H48 O16 |
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Calculated formula | C32 H48 O16 |
SMILES | O1[C@H]2[C@H](OC(=O)COC[C@H]3OCCC[C@H]3OC(=O)COC[C@H]3OCCC[C@H]3OC(=O)COC[C@H]3OCCC[C@H]3OC(=O)COC2)CCC1 |
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 | 9.052 ± 0.002 Å |
b | 27.546 ± 0.006 Å |
c | 9.808 ± 0.003 Å |
α | 90° |
β | 115.28 ± 0.02° |
γ | 90° |
Cell volume | 2211.4 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1177 |
Residual factor for significantly intense reflections | 0.0868 |
Weighted residual factors for significantly intense reflections | 0.236 |
Weighted residual factors for all reflections included in the refinement | 0.256 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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