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Information card for entry 4030105
Preview
Coordinates | 4030105.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H27 N O4 |
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Calculated formula | C33 H27 N O4 |
SMILES | O=C1N(c2ccccc2[C@]21[C@H](C(=O)c1ccccc1)[C@@]2(c1ccccc1)C(=O)OCC)Cc1ccccc1.O=C1N(c2ccccc2[C@@]21[C@@H](C(=O)c1ccccc1)[C@]2(c1ccccc1)C(=O)OCC)Cc1ccccc1 |
Title of publication | Diastereoselective Synthesis of Functionalized Spirocyclopropyl Oxindoles via P(NMe2)3-Mediated Reductive Cyclopropanation. |
Authors of publication | Zhou, Rong; Yang, Changjiang; Liu, Yiyi; Li, Ruifeng; He, Zhengjie |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 21 |
Pages of publication | 10709 |
a | 8.8451 ± 0.0018 Å |
b | 11.663 ± 0.002 Å |
c | 13.734 ± 0.003 Å |
α | 77.1 ± 0.03° |
β | 72.29 ± 0.03° |
γ | 86.66 ± 0.03° |
Cell volume | 1315.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0858 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4030105.html
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Users of the data should acknowledge the original authors of the
structural data.