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Information card for entry 7115890
Preview
Coordinates | 7115890.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H29 N3 O8 |
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Calculated formula | C26 H29 N3 O8 |
SMILES | O(C(=O)[C@@]12C[C@](N[C@@H]1N(c1c2cccc1)C(=O)OCC)(c1c(N(=O)=O)ccc(c1)C)C(=O)OC)C(C)C.O(C(=O)[C@]12C[C@@](N[C@H]1N(c1c2cccc1)C(=O)OCC)(c1c(N(=O)=O)ccc(c1)C)C(=O)OC)C(C)C |
Title of publication | A cation-directed two-component cascade approach to enantioenriched pyrroloindolines |
Authors of publication | Jamie R. Wolstenhulme; Alex Cavell; Matija Gredicak; Russell W. Driver; Martin D. Smith |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13585 |
a | 13.7695 ± 0.0002 Å |
b | 7.385 ± 0.0002 Å |
c | 24.6016 ± 0.0004 Å |
α | 90° |
β | 97.695 ± 0.001° |
γ | 90° |
Cell volume | 2479.15 ± 0.09 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for all reflections | 0.1069 |
Weighted residual factors for significantly intense reflections | 0.0963 |
Weighted residual factors for all reflections included in the refinement | 0.1054 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0234 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | synchrotron |
Duplicate of | 7115885 |
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/7115890.html
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Users of the data should acknowledge the original authors of the
structural data.