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Information card for entry 7101490
Preview
Coordinates | 7101490.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H33 N O4 |
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Calculated formula | C21 H33 N O4 |
SMILES | [NH+]([C@H]([C@@H](O)c1ccccc1)CO)(C)C.[NH+]([C@H]([C@@H](O)c1ccccc1)CO)(C)C.O=C([O-])[C@H]1C([C@@H]1C=C(C)C)(C)C.O=C([O-])[C@@H]1C([C@H]1C=C(C)C)(C)C |
Title of publication | p1,n1 Salts: Self Assembled Supramolecular Structures Sequestering Racemates |
Authors of publication | Goffredo Rosini; Claudia Ayoub; Valerio Borzatta; Emanuela Marotta; Andrea Mazzanti; Paolo Righi |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 41 |
a | 11.1297 ± 0.0006 Å |
b | 13.4914 ± 0.0007 Å |
c | 28.0333 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4209.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.069 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1034 |
Weighted residual factors for all reflections included in the refinement | 0.1136 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7101490.html
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