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Information card for entry 4036876
Preview
Coordinates | 4036876.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H27 N O5 |
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Calculated formula | C25 H27 N O5 |
SMILES | O=N1C2(OC(C=1CCCC)=C(c1ccccc1)c1ccccc1)OC(OC(=O)C2)(C)C |
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 | 24.3312 ± 0.0004 Å |
b | 9.41875 ± 0.00017 Å |
c | 21.1358 ± 0.0004 Å |
α | 90° |
β | 116.324 ± 0.0007° |
γ | 90° |
Cell volume | 4341.39 ± 0.14 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.0471 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0943 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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