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Information card for entry 1543909
Preview
| Coordinates | 1543909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 O6 |
|---|---|
| Calculated formula | C19 H24 O6 |
| SMILES | O1C(=O)[C@H]2[C@]34O[C@](O)(C[C@@H]4C(=O)C[C@H](C3)C(=C)C)[C@H]3[C@@](O)(C[C@@H]1[C@@H]23)C |
| Title of publication | Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. |
| Authors of publication | Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. |
| Journal of publication | Chemical science |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 507 - 514 |
| a | 8.2463 ± 0.0002 Å |
| b | 10.3683 ± 0.0003 Å |
| c | 19.3151 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1651.44 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| 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 | 0.0268 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193728 (current) | 2017-03-05 | cif/ Updating files of 1543908, 1543909, 1543910, 1543911, 1543912, 1543913, 1543914, 1543915 Original log message: Adding full bibliography for 1543908--1543915.cif. |
1543909.cif |
| 191534 | 2017-02-04 | cif/ Updating files of 1543908, 1543909, 1543910, 1543911, 1543912, 1543913, 1543914, 1543915 Original log message: Adding full bibliography for 1543908--1543915.cif. |
1543909.cif |
| 185873 | 2016-08-18 | cif/ Adding structures of 1543908, 1543909, 1543910, 1543911, 1543912, 1543913, 1543914, 1543915 via cif-deposit CGI script. |
1543909.cif |
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Users of the data should acknowledge the original authors of the
structural data.