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Information card for entry 1503052
Preview
Coordinates | 1503052.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H29 N O3 S |
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Calculated formula | C30 H29 N O3 S |
SMILES | C1(=O)C(=C([C@H]2[C@H]3[C@@H](N(C2)S(=O)(=O)c2ccc(cc2)C)CCC[C@@H]13)c1ccccc1)c1ccccc1.C1(=O)C(=C([C@@H]2[C@@H]3[C@H](N(C2)S(=O)(=O)c2ccc(cc2)C)CCC[C@H]13)c1ccccc1)c1ccccc1 |
Title of publication | Rh(I)-catalyzed carbonylative carbocyclization of tethered ene- and yne-cyclopropenes. |
Authors of publication | Li, Changkun; Zhang, Hang; Feng, Jiajie; Zhang, Yan; Wang, Jianbo |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 13 |
Pages of publication | 3082 - 3085 |
a | 21.763 ± 0.004 Å |
b | 10.484 ± 0.002 Å |
c | 23.818 ± 0.005 Å |
α | 90° |
β | 111.79 ± 0.03° |
γ | 90° |
Cell volume | 5046 ± 2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0834 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0584 |
Weighted residual factors for all reflections included in the refinement | 0.0607 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/1503052.html
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Users of the data should acknowledge the original authors of the
structural data.