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Information card for entry 1505245
Preview
| Coordinates | 1505245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C11 H19 N O4 |
|---|---|
| Calculated formula | C11 H19 N O4 |
| SMILES | O1C(O[C@@H]2[C@@H]1C[C@H]1ON([C@@H]([C@H]2O)C1)C)(C)C |
| Title of publication | trans-acetonide controlled endo-selective intramolecular nitrone-alkene cycloaddition of hept-6-enoses: a facile entry to calystegines, tropanes, and hydroxylated aminocycloheptanes. |
| Authors of publication | Shing, Tony K. M.; Wong, Wai F.; Ikeno, Taketo; Yamada, Tohru |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 207 - 209 |
| a | 5.9407 ± 0.0012 Å |
| b | 10.466 ± 0.002 Å |
| c | 9.3103 ± 0.0019 Å |
| α | 90° |
| β | 90 ± 0.03° |
| γ | 90° |
| Cell volume | 578.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505245.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505245.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505245.cif |
| 45451 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505245 via cif-deposit CGI script. |
1505245.cif |
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Users of the data should acknowledge the original authors of the
structural data.