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Information card for entry 1547123
Preview
Coordinates | 1547123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H32 N2 O4 S |
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Calculated formula | C30 H32 N2 O4 S |
SMILES | S(=O)(=O)(N1c2ccccc2[C@H](C1=C)[C@@]12CCO[C@@H]1N(c1c2cccc1)C)c1ccc(cc1)C.O=C(C)C.S(=O)(=O)(N1c2ccccc2[C@@H](C1=C)[C@]12CCO[C@H]1N(c1c2cccc1)C)c1ccc(cc1)C.O=C(C)C |
Title of publication | Divergent Synthesis of Polycyclic Indolines: Copper-Catalyzed Cascade Reactions of Propargylic Carbamates and Indoles. |
Authors of publication | Li, Tian-Ren; Lu, Liang-Qiu; Wang, Ya-Ni; Wang, Bao-Cheng; Xiao, Wen-Jing |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 15 |
Pages of publication | 4098 - 4101 |
a | 9.0918 ± 0.0015 Å |
b | 12.255 ± 0.002 Å |
c | 12.832 ± 0.002 Å |
α | 74.988 ± 0.003° |
β | 88.662 ± 0.003° |
γ | 88.721 ± 0.003° |
Cell volume | 1380.4 ± 0.4 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0881 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1948 |
Weighted residual factors for all reflections included in the refinement | 0.2261 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547123.html
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Users of the data should acknowledge the original authors of the
structural data.