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Information card for entry 1502161
Preview
| Coordinates | 1502161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 O2 |
|---|---|
| Calculated formula | C20 H22 O2 |
| SMILES | O[C@@H]1C[C@@]2(c3ccc(OC)cc3C[C@@H]2CC1)c1ccccc1.O[C@H]1C[C@]2(c3ccc(OC)cc3C[C@H]2CC1)c1ccccc1 |
| Title of publication | Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A. |
| Authors of publication | Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 2614 - 2617 |
| a | 30.462 ± 0.002 Å |
| b | 13.2317 ± 0.0008 Å |
| c | 7.6817 ± 0.0005 Å |
| α | 90° |
| β | 95.312 ± 0.004° |
| γ | 90° |
| Cell volume | 3082.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1104 |
| Residual factor for significantly intense reflections | 0.0971 |
| Weighted residual factors for significantly intense reflections | 0.2769 |
| Weighted residual factors for all reflections included in the refinement | 0.2837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502161.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502161.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502161.cif |
| 35478 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502161 via cif-deposit CGI script. |
1502161.cif |
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Users of the data should acknowledge the original authors of the
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