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Information card for entry 1505324
Preview
Coordinates | 1505324.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H19 N O2 |
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Calculated formula | C12 H19 N O2 |
SMILES | O=C1N2[C@H](C[C@@H]3[C@]1(O)CCCC3)CCC2.O=C1N2[C@@H](C[C@H]3[C@@]1(O)CCCC3)CCC2 |
Title of publication | Intramolecular azide trapping of the Nazarov intermediate: formation of peroxy-bridged indolizidinones via a deep-seated rearrangement and aerobic oxidation. |
Authors of publication | Rostami, Ali; Wang, Yong; Arif, Atta M.; McDonald, Robert; West, F. G. |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 4 |
Pages of publication | 703 - 706 |
a | 8.8461 ± 0.0006 Å |
b | 12.6516 ± 0.0009 Å |
c | 9.8467 ± 0.0007 Å |
α | 90° |
β | 95.999 ± 0.001° |
γ | 90° |
Cell volume | 1095.98 ± 0.13 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 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 | 0.0456 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.1052 |
Weighted residual factors for all reflections included in the refinement | 0.1101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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