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Information card for entry 1100189
Preview
| Coordinates | 1100189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate |
|---|---|
| Formula | C22 H28.66 N2 O2.33 |
| Calculated formula | C26 H38 N2 O3 |
| Title of publication | Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution |
| Authors of publication | Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt |
| Journal of publication | Synthesis |
| Year of publication | 2001 |
| Journal volume | 2001 |
| Journal issue | 9 |
| Pages of publication | 1395 - 1405 |
| a | 7.6041 ± 0.0008 Å |
| b | 15.9342 ± 0.0011 Å |
| c | 16.4592 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1994.28 Å3 |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 3.05 |
| Weighted residual factors for significantly intense reflections | 3.05 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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