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Information card for entry 7113792
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| Coordinates | 7113792.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1R-(1,2,3,4/5)-1,5-di-O-benzoyl-4-O-tert-Butyldimethylsilyl- 2,3-O-isopropylidene-cyclopentane-1,2,3,4,5-pentol |
|---|---|
| Chemical name | 1R-(1,2,3,4/5)-1,5-di-O-benzoyl-4-O-tert- Butyldimethylsilyl-2,3-O- isopropylidene-cyclopentane-1,2,3,4,5-pentol |
| Formula | C28 H36 O7 Si |
| Calculated formula | C28 H36 O7 Si |
| SMILES | [Si](O[C@H]1[C@H]2OC(O[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C)C)(C(C)(C)C)(C)C |
| Title of publication | Cyclopentanes from N-amino-glyconolactams. A synthesis of mannostatin A |
| Authors of publication | Hu, Guixian; Zimmermann, Martin; Ramana, Chepuri Venkata; Vasella, Andrea |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 8 |
| Pages of publication | 952 - 953 |
| a | 6.378 ± 0.001 Å |
| b | 19.449 ± 0.005 Å |
| c | 11.752 ± 0.003 Å |
| α | 90° |
| β | 103 ± 0.02° |
| γ | 90° |
| Cell volume | 1420.4 ± 0.6 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 | 0.0863 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.285 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Duplicate of | 7104079 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210625 (current) | 2018-09-09 | cif/7/ Updating bibliography in entries 7104079, 7113792. Marking entry 7113792 as a duplicate of entry 7104079. |
7113792.cif |
| 180251 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/37. |
7113792.cif |
| 115269 | 2014-06-02 | cif/ Adding structures of 7113792 via cif-deposit CGI script. |
7113792.cif |
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