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Information card for entry 4036873
Preview
Coordinates | 4036873.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H28 N2 O3 |
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Calculated formula | C26 H28 N2 O3 |
SMILES | O=N1C(N)=C(C(C=1C1CCCCC1)=C(c1ccccc1)c1ccccc1)C(=O)OCC |
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 | 9.51596 ± 0.00017 Å |
b | 10.64683 ± 0.00019 Å |
c | 11.5346 ± 0.0002 Å |
α | 78.85 ± 0.006° |
β | 83.687 ± 0.006° |
γ | 71.797 ± 0.005° |
Cell volume | 1087.65 ± 0.05 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 | 0.0396 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0895 |
Weighted residual factors for all reflections included in the refinement | 0.0917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4036873.html
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