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Information card for entry 7150534
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| Coordinates | 7150534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | A-neo-18α-olean-3(5)-en-28,19β-olide |
|---|---|
| Formula | C30 H46 O2 |
| Calculated formula | C30 H46 O2 |
| SMILES | C1CC(=C2CC[C@@]3([C@@H]([C@@]12C)CC[C@H]1[C@]3(CC[C@]23[C@@H]1[C@H](C(CC2)(C)C)OC3=O)C)C)C(C)C |
| Title of publication | Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes |
| Authors of publication | Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 3 |
| Pages of publication | 508 - 517 |
| a | 13.2214 ± 0.0004 Å |
| b | 6.4962 ± 0.0002 Å |
| c | 29.842 ± 0.0009 Å |
| α | 90° |
| β | 93.615 ± 0.002° |
| γ | 90° |
| Cell volume | 2558 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0971 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150534.cif |
| 180291 | 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 7/15/05. |
7150534.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150534.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150534.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150534.cif |
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