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Information card for entry 7101184
Preview
Coordinates | 7101184.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C41 H73 N3 O9 |
---|---|
Calculated formula | C41 H73 N3 O9 |
SMILES | [C@@H]12[C@@H](C[C@H]3C[C@@H](CC[C@]3(C)[C@H]1C[C@@H]([C@]1(C)[C@H](CC[C@@H]21)[C@H](C)CCC(=O)OC)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CO |
Title of publication | The "triamino-analogue" of methyl allocholate; a rigid, functionalised scaffold for supramolecular chemistry |
Authors of publication | Bhattarai, Khadga M.; del Amo, Vicente; Magro, Germinal; Sisson, Adam L.; Joos, Jean-Baptiste; Charmant, Jonathan P. H.; Kantacha, Anob; Davis, Anthony P. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2006 |
Journal issue | 22 |
Pages of publication | 2335 - 2337 |
a | 27.007 ± 0.004 Å |
b | 27.007 ± 0.004 Å |
c | 11.473 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7247 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 170 |
Hermann-Mauguin space group symbol | P 65 |
Hall space group symbol | P 65 |
Residual factor for all reflections | 0.1262 |
Residual factor for significantly intense reflections | 0.0843 |
Weighted residual factors for significantly intense reflections | 0.2037 |
Weighted residual factors for all reflections included in the refinement | 0.226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71074 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/7101184.html
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Users of the data should acknowledge the original authors of the
structural data.