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Information card for entry 1544929
Preview
Coordinates | 1544929.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H25 N3 O4 S |
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Calculated formula | C33 H25 N3 O4 S |
SMILES | S(=O)(=O)(n1c2c(c(N3CCOC3=O)c(nc2c2c1cccc2)c1ccccc1)c1ccccc1)c1ccc(cc1)C |
Title of publication | Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes. |
Authors of publication | Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 1 |
Pages of publication | 110 - 113 |
a | 10.6286 ± 0.0018 Å |
b | 25.115 ± 0.004 Å |
c | 10.7465 ± 0.0018 Å |
α | 90° |
β | 104.224 ± 0.004° |
γ | 90° |
Cell volume | 2780.7 ± 0.8 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0989 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Weighted residual factors for all reflections included in the refinement | 0.1429 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.807 |
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/1544929.html
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