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Information card for entry 4107616
Preview
| Coordinates | 4107616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6-5-5 product |
|---|---|
| Chemical name | N-tosyl-5-aza-9-hydroxy-1-methyltricyclo[7.3.0.02,7]dodecan-12-one |
| Formula | C19 H25 N O4 S |
| Calculated formula | C19 H25 N O4 S |
| SMILES | S(=O)(=O)(N1CC[C@@H]2[C@]3(C(=O)CC[C@@]3(O)C[C@H]2C1)C)c1ccc(C)cc1.S(=O)(=O)(N1CC[C@H]2[C@@]3(C(=O)CC[C@]3(O)C[C@@H]2C1)C)c1ccc(C)cc1 |
| Title of publication | Tandem Rh(I)-Catalyzed [(5+2)+1] Cycloaddition/Aldol Reaction for the Construction of Linear Triquinane Skeleton: Total Syntheses of (\±)-Hirsutene and (\±)-1-Desoxyhypnophilin |
| Authors of publication | Lei Jiao; Changxia Yuan; Zhi-Xiang Yu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 4421 - 4430 |
| a | 6.3978 ± 0.0013 Å |
| b | 8.4177 ± 0.0017 Å |
| c | 17.485 ± 0.004 Å |
| α | 83.29 ± 0.03° |
| β | 84.99 ± 0.03° |
| γ | 70.12 ± 0.03° |
| Cell volume | 878.3 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| 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 |
|---|---|---|---|
| 178822 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/76. |
4107616.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107616.cif |
| 55318 | 2012-05-04 | cif/ Adding structures of 4107616 via cif-deposit CGI script. |
4107616.cif |
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