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Information card for entry 4029874
Preview
Coordinates | 4029874.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H24 N2 O5 |
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Calculated formula | C30 H24 N2 O5 |
SMILES | n1(c(c(c(c2c1nc1c2cccc1)C(=O)c1ccccc1)C(=O)OC)C(=O)OCC)c1ccc(cc1)C |
Title of publication | Selective Synthesis of Polyfunctionalized Pyrido[2,3-b]indoles by Multicomponent Domino Reactions. |
Authors of publication | Hu, Jun-Die; Cao, Cheng-Pao; Lin, Wei; Hu, Ming-Hua; Huang, Zhi-Bin; Shi, Da-Qing |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 17 |
Pages of publication | 7935 - 7944 |
a | 10.2812 ± 0.0009 Å |
b | 10.2989 ± 0.0008 Å |
c | 13.2551 ± 0.0011 Å |
α | 89.772 ± 0.002° |
β | 87.99 ± 0.002° |
γ | 62.141 ± 0.001° |
Cell volume | 1239.96 ± 0.18 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1698 |
Residual factor for significantly intense reflections | 0.0737 |
Weighted residual factors for significantly intense reflections | 0.1672 |
Weighted residual factors for all reflections included in the refinement | 0.2352 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4029874.html
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Users of the data should acknowledge the original authors of the
structural data.