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Information card for entry 7150699
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| Coordinates | 7150699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dioxaspiro(bicyclo(3.2.1)octane-2,2'-oxolane) derivative 1 |
|---|---|
| Chemical name | dioxaspiro[bicyclo[3.2.1]octane-2,2'-oxolane] derivative 1 |
| Formula | C27 H42 O7 |
| Calculated formula | C27 H42 O7 |
| SMILES | CC1([C@@H]2CC[C@@]([C@]3(CC[C@]([C@@H]4CC[C@@H]([C@@]5(CC[C@@H]([C@@]6(CCC(=O)O6)C)O5)C)O4)(C)O3)O1)(C)O2)C.CC1([C@H]2CC[C@]([C@@]3(CC[C@@]([C@H]4CC[C@H]([C@]5(CC[C@H]([C@]6(CCC(=O)O6)C)O5)C)O4)(C)O3)O1)(C)O2)C |
| Title of publication | Discovery of a new PCC-mediated stereoselective oxidative spiroketalization process. An access to a new type of poly-THF spiroketal compound displaying anticancer activity |
| Authors of publication | Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Tuzi, Angela; Centore, Roberto; Hemminki, Akseli; Ugolini, Matteo; Cerullo, Vincenzo |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 15 |
| Pages of publication | 3036 |
| a | 13.209 ± 0.001 Å |
| b | 7.494 ± 0.001 Å |
| c | 25.505 ± 0.005 Å |
| α | 90° |
| β | 91.45 ± 0.01° |
| γ | 90° |
| Cell volume | 2523.9 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2249 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.2048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180292 (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 7/15/06. |
7150699.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150699.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150699.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150699.cif |
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