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Information card for entry 4036865
Preview
Coordinates | 4036865.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H33 N O2 |
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Calculated formula | C34 H33 N O2 |
SMILES | O=N1[C@](O)([C@@H](C(C=1CCCC)=C(c1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1.O=N1[C@@](O)([C@H](C(C=1CCCC)=C(c1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1 |
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 | 9.0244 ± 0.0003 Å |
b | 9.8981 ± 0.0003 Å |
c | 15.4496 ± 0.0005 Å |
α | 86.259 ± 0.006° |
β | 75.911 ± 0.005° |
γ | 80.033 ± 0.006° |
Cell volume | 1317.93 ± 0.08 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 | 0.0591 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1391 |
Weighted residual factors for all reflections included in the refinement | 0.1431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4036865.html
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Users of the data should acknowledge the original authors of the
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