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Information card for entry 4106871
Preview
Coordinates | 4106871.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H33 N O2 S |
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Calculated formula | C26 H33 N O2 S |
SMILES | C1[C@@H]2C[C@@H](C2=C([C@H](CC(C)C)N1S(=O)(=O)c1ccc(C)cc1)CC)c1ccccc1 |
Title of publication | Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes |
Authors of publication | Weidong Rao; Dewi Susanti; Philip Wai Hong Chan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 15248 - 15251 |
a | 8.2758 ± 0.0007 Å |
b | 14.3175 ± 0.0013 Å |
c | 19.5838 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2320.5 ± 0.4 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.0867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
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/4106871.html
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Users of the data should acknowledge the original authors of the
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