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Information card for entry 4027795
Preview
Coordinates | 4027795.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H30 N4 O7 |
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Calculated formula | C26 H30 N4 O7 |
SMILES | [C@@]12([C@H](c3ccccn3)N([C@@H]([C@](CN(C1)CC(=O)OCC)(C2=O)C(=O)OC)c1ccccn1)C)C(=O)OC.[C@]12([C@@H](c3ccccn3)N([C@H]([C@@](CN(C1)CC(=O)OCC)(C2=O)C(=O)OC)c1ccccn1)C)C(=O)OC |
Title of publication | Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands |
Authors of publication | Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 11167 - 11176 |
a | 14.8091 ± 0.0004 Å |
b | 11.8613 ± 0.0004 Å |
c | 14.8551 ± 0.0004 Å |
α | 90° |
β | 100.775 ± 0.002° |
γ | 90° |
Cell volume | 2563.37 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0832 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1418 |
Weighted residual factors for all reflections included in the refinement | 0.1555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027795.html
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Users of the data should acknowledge the original authors of the
structural data.