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Information card for entry 4033326
Preview
Coordinates | 4033326.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | AMUS127 |
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Formula | C20 H30 N2 O5 |
Calculated formula | C20 H30 N2 O5 |
SMILES | O(C(=O)N1CC2=C(C[C@@H]3[C@H]([C@@]12[C@@H](O)C(C)C)C(=O)N(C3=O)C)C)C(C)(C)C.O(C(=O)N1CC2=C(C[C@H]3[C@@H]([C@]12[C@H](O)C(C)C)C(=O)N(C3=O)C)C)C(C)(C)C |
Title of publication | Regiodivergent Stereoselective Access to Fused Alkylideneazetidines. |
Authors of publication | Music, Arif; Baumann, Andreas N.; Eisold, Michael; Didier, Dorian |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 2 |
Pages of publication | 783 - 792 |
a | 7.4167 ± 0.0003 Å |
b | 10.5318 ± 0.0005 Å |
c | 13.811 ± 0.0006 Å |
α | 99.828 ± 0.002° |
β | 102.136 ± 0.001° |
γ | 93.865 ± 0.002° |
Cell volume | 1033.21 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0583 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.0874 |
Weighted residual factors for all reflections included in the refinement | 0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4033326.html
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Users of the data should acknowledge the original authors of the
structural data.