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Information card for entry 1505247
Preview
| Coordinates | 1505247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H33 N O4 Si |
|---|---|
| Calculated formula | C17 H33 N O4 Si |
| SMILES | N1(O[C@H]2C[C@H]3OC(O[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C2)(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 | 8.3847 ± 0.0017 Å |
| b | 10.637 ± 0.002 Å |
| c | 22.556 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2011.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.2339 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1517 |
| Weighted residual factors for all reflections included in the refinement | 0.2074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505247.cif |
| 201954 | 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. |
1505247.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. |
1505247.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505247.cif |
| 45453 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505247 via cif-deposit CGI script. |
1505247.cif |
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Users of the data should acknowledge the original authors of the
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