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Information card for entry 4036871
Preview
Coordinates | 4036871.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H27 N O6 |
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Calculated formula | C26 H27 N O6 |
SMILES | O=N1[C@H]2[C@@H](C(C(=O)C=1CCCC)(c1ccccc1)c1ccccc1)[C@](OC2=O)(C)C(=O)OC.O=N1[C@@H]2[C@H](C(C(=O)C=1CCCC)(c1ccccc1)c1ccccc1)[C@@](OC2=O)(C)C(=O)OC |
Title of publication | Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones. |
Authors of publication | Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 8722 - 8735 |
a | 10.51957 ± 0.00019 Å |
b | 10.61682 ± 0.00019 Å |
c | 11.9118 ± 0.0002 Å |
α | 72.9557 ± 0.0007° |
β | 71.8991 ± 0.0007° |
γ | 66.7618 ± 0.0007° |
Cell volume | 1139.57 ± 0.04 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.0388 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0902 |
Weighted residual factors for all reflections included in the refinement | 0.0946 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.71075 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/4036871.html
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