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Information card for entry 1502621
Preview
| Coordinates | 1502621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | RajanBabu 1724 |
|---|---|
| Formula | C13 H15 N O |
| Calculated formula | C13 H15 N O |
| SMILES | [C@@]12(CCC(=O)N2c2ccccc2[C@H]1C)C.[C@]12(CCC(=O)N2c2ccccc2[C@@H]1C)C |
| Title of publication | Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation. |
| Authors of publication | Lim, Hwan Jung; RajanBabu, T. V. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 24 |
| Pages of publication | 6596 - 6599 |
| a | 8.5745 ± 0.0002 Å |
| b | 14.1089 ± 0.0003 Å |
| c | 8.8408 ± 0.0002 Å |
| α | 90° |
| β | 94.154 ± 0.001° |
| γ | 90° |
| Cell volume | 1066.72 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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 |
|---|---|---|---|
| 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. |
1502621.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502621.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502621.cif |
| 35906 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502621 via cif-deposit CGI script. |
1502621.cif |
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Users of the data should acknowledge the original authors of the
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