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Information card for entry 4078611
Preview
Coordinates | 4078611.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H29 N O3 S |
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Calculated formula | C22 H29 N O3 S |
SMILES | S(=O)(=O)(N1C[C@H]2[C@@H](C1)[C@@H](C(=O)C(=C(C)C)C2=C(C)C)C)c1ccc(cc1)C.S(=O)(=O)(N1C[C@@H]2[C@H](C1)[C@H](C(=O)C(=C(C)C)C2=C(C)C)C)c1ccc(cc1)C |
Title of publication | Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds |
Authors of publication | Lu, Bei-Li; Wei, Yin; Shi, Min |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 12 |
Pages of publication | 4601 |
a | 9.1187 ± 0.0007 Å |
b | 20.3918 ± 0.0015 Å |
c | 23.2891 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4330.5 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0829 |
Residual factor for significantly intense reflections | 0.0567 |
Weighted residual factors for significantly intense reflections | 0.129 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/4078611.html
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Users of the data should acknowledge the original authors of the
structural data.