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Information card for entry 7115287
Preview
Coordinates | 7115287.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H45 K O3 |
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Calculated formula | C37 H45 K O3 |
SMILES | [K]([O]1CCCCC1)([O]1CCCCC1)[O]1CCCCC1.[C-]12C3[C@@H](c4ccccc14)c1ccccc1[C@H]3c1ccccc21 |
Title of publication | Monometalated tribenzotriquinacene: exo and endo coordination of sodium and potassium with a rigid bowl-shaped hydrocarbon anion |
Authors of publication | Jan Klett |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 7929 |
a | 16.783 ± 0.002 Å |
b | 12.416 ± 0.002 Å |
c | 15.368 ± 0.002 Å |
α | 90° |
β | 102.75 ± 0.02° |
γ | 90° |
Cell volume | 3123.4 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0202 |
Residual factor for significantly intense reflections | 0.0201 |
Weighted residual factors for significantly intense reflections | 0.0485 |
Weighted residual factors for all reflections included in the refinement | 0.0486 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54188 Å |
Diffraction radiation type | CuKα |
Duplicate of | 7115285 |
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/7115287.html
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