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Information card for entry 7115926
Preview
Coordinates | 7115926.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H66 N4 O16 S4 |
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Calculated formula | C36 H66 N4 O16 S4 |
Title of publication | Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage |
Authors of publication | Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 14086 |
a | 7.8956 ± 0.0004 Å |
b | 9.6557 ± 0.0003 Å |
c | 14.916 ± 0.0006 Å |
α | 77.311 ± 0.003° |
β | 81.835 ± 0.004° |
γ | 86.214 ± 0.003° |
Cell volume | 1097.43 ± 0.08 Å3 |
Cell temperature | 175 K |
Ambient diffraction temperature | 175 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for all reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.0483 |
Weighted residual factors for all reflections included in the refinement | 0.0483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0944 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7115926.html
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Users of the data should acknowledge the original authors of the
structural data.