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Information card for entry 1517866
Preview
| Coordinates | 1517866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4-(1,2,3,8a,9,9a,10,10a-octahydroanthracen-9-yl)morpholine |
|---|---|
| Formula | C18 H23 N O |
| Calculated formula | C18 H23 N O |
| SMILES | O1CCN([C@H]2[C@H]3C(=CCCC3)Cc3c2cccc3)CC1.O1CCN([C@@H]2[C@@H]3C(=CCCC3)Cc3c2cccc3)CC1 |
| Title of publication | Domino Formation of Enamines - Intramolecular Cyclizations to 1-Aminotetralins from γ-Arylallene Aldehydes and Amines. |
| Authors of publication | Gobé, Valérian; Retailleau, Pascal; Guinchard, Xavier |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 20 |
| Pages of publication | 5438 - 5441 |
| a | 8.618 ± 0.001 Å |
| b | 16.963 ± 0.001 Å |
| c | 10.051 ± 0.001 Å |
| α | 90° |
| β | 95.087 ± 0.003° |
| γ | 90° |
| Cell volume | 1463.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0871 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517866.cif |
| 176729 | 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. |
1517866.cif |
| 127243 | 2014-11-12 | cif/ Updating files of 1517866 Original log message: Adding full bibliography for 1517866.cif. |
1517866.cif |
| 124452 | 2014-10-01 | cif/ Adding structures of 1517866 via cif-deposit CGI script. |
1517866.cif |
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Users of the data should acknowledge the original authors of the
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