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Information card for entry 7153511
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7153511.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H29 N O9 |
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Calculated formula | C18 H29 N O9 |
SMILES | O([C@@H]1[C@@H](OC(=O)C)[C@@H](O)[C@H](OC(=O)C)[C@H](NC(=O)OC(C)(C)C)CC1)C(=O)C.O([C@H]1[C@H](OC(=O)C)[C@H](O)[C@@H](OC(=O)C)[C@@H](NC(=O)OC(C)(C)C)CC1)C(=O)C |
Title of publication | Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols. |
Authors of publication | Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2010 |
Journal volume | 8 |
Journal issue | 24 |
Pages of publication | 5628 - 5634 |
a | 15.652 ± 0.003 Å |
b | 10.174 ± 0.002 Å |
c | 28.07 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4470 ± 1.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1226 |
Weighted residual factors for all reflections included in the refinement | 0.131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7153511.html
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Users of the data should acknowledge the original authors of the
structural data.