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Information card for entry 7118977
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Coordinates | 7118977.cif |
---|
Formula | C26 H25 N3 O5 S |
---|---|
Calculated formula | C26 H25 N3 O5 S |
SMILES | S(=O)(=O)(NCC[C@]12c3c(N[C@](C1)([C@H](C2=O)c1ccccc1)C)cccc3)c1ccc(N(=O)=O)cc1.S(=O)(=O)(NCC[C@@]12c3c(N[C@@](C1)([C@@H](C2=O)c1ccccc1)C)cccc3)c1ccc(N(=O)=O)cc1 |
Title of publication | Intramolecular cyclizations of cyclopropenes with indole |
Authors of publication | Peng-Long Zhu; Xiang-Ying Tang; Min Shi |
Journal of publication | Chem.Commun. |
Year of publication | 2016 |
Journal volume | 52 |
Pages of publication | 7245 |
a | 9.3636 ± 0.0017 Å |
b | 10.8898 ± 0.0019 Å |
c | 12.521 ± 0.002 Å |
α | 99.75 ± 0.004° |
β | 95.533 ± 0.004° |
γ | 107.818 ± 0.004° |
Cell volume | 1182.9 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0673 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1292 |
Weighted residual factors for all reflections included in the refinement | 0.1405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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