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Information card for entry 7151356
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| Coordinates | 7151356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | acetic acid 5-(5-acetoxy-2,2-dimethyl-(1,3)dioxan-5-yl-ONN- azoxy)-2,2-dimethyl-(1,3)dioxan-5-yl ester |
|---|---|
| Formula | C16 H26 N2 O9 |
| Calculated formula | C16 H26 N2 O9 |
| SMILES | O1CC(OC(=O)C)(N(=NC2(OC(=O)C)COC(OC2)(C)C)=O)COC1(C)C |
| Title of publication | Intermolecular nitroso Diels-Alder cycloaddition of alpha-acetoxynitroso derivatives in aqueous medium. |
| Authors of publication | Calvet, Géraldine; Guillot, Régis; Blanchard, Nicolas; Kouklovsky, Cyrille |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2005 |
| Journal volume | 3 |
| Journal issue | 24 |
| Pages of publication | 4395 - 4401 |
| a | 10.675 ± 0.0004 Å |
| b | 10.8521 ± 0.0005 Å |
| c | 33.594 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3891.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180299 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/13. |
7151356.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151356.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151356.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7151356.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7151356.cif |
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Users of the data should acknowledge the original authors of the
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