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Information card for entry 1555854
Preview
Coordinates | 1555854.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H31 N O7 S |
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Calculated formula | C28 H31 N O7 S |
SMILES | c1(ccc(C)cc1)S(=O)(=O)NC[C@@]12c3c(cccc3)[C@](C3CCCCC3)(O2)C(=C1C(=O)OC)C(=O)OC.c1(ccc(C)cc1)S(=O)(=O)NC[C@]12c3c(cccc3)[C@@](C3CCCCC3)(O2)C(=C1C(=O)OC)C(=O)OC |
Title of publication | Stereoselective Synthesis of Oxabicyclo[2.2.1]heptenes via a Tandem Dirhodium(II)-Catalyzed Triazole Denitrogenation and [3 + 2] Cycloaddition. |
Authors of publication | Yuan, Hao; Gong, Jianxian; Yang, Zhen |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 21 |
Pages of publication | 5500 - 5503 |
a | 16.125 ± 0.006 Å |
b | 19.416 ± 0.006 Å |
c | 9.015 ± 0.003 Å |
α | 90° |
β | 102.099 ± 0.016° |
γ | 90° |
Cell volume | 2759.7 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1165 |
Residual factor for significantly intense reflections | 0.0815 |
Weighted residual factors for significantly intense reflections | 0.2105 |
Weighted residual factors for all reflections included in the refinement | 0.2595 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.371 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555854.html
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