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Information card for entry 1502371
Preview
Coordinates | 1502371.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 N2 O2 |
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Calculated formula | C22 H24 N2 O2 |
SMILES | [C@]1([C@@]2(C(=O)N(c3ccccc3)N1)CC(CC2=O)(C)C)(c1ccccc1)C.[C@@]1([C@]2(C(=O)N(c3ccccc3)N1)CC(CC2=O)(C)C)(c1ccccc1)C |
Title of publication | 1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles. |
Authors of publication | Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 15 |
Pages of publication | 4124 - 4127 |
a | 10.7346 ± 0.0003 Å |
b | 9.4995 ± 0.0003 Å |
c | 18.7661 ± 0.0005 Å |
α | 90° |
β | 95.215 ± 0.002° |
γ | 90° |
Cell volume | 1905.72 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1631 |
Residual factor for significantly intense reflections | 0.0801 |
Weighted residual factors for significantly intense reflections | 0.2384 |
Weighted residual factors for all reflections included in the refinement | 0.3224 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1502371.html
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Users of the data should acknowledge the original authors of the
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