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Information card for entry 1511972
Preview
Coordinates | 1511972.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 N6 |
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Calculated formula | C26 H22 N6 |
SMILES | Cc1nn(c2c1c1c(nc3c(c1c(n2)c1ccccc1)c(C)nn3C)c1ccccc1)C |
Title of publication | Novel Double [3 + 2 + 1] Heteroannulation for Forming Unprecedented Dipyrazolo-Fused 2,6-Naphthyridines |
Authors of publication | Fan, Wei; Ye, Qin; Xu, Hai-Wei; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang |
Journal of publication | Organic Letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 9 |
Pages of publication | 2258 |
a | 5.7094 ± 0.0005 Å |
b | 8.0503 ± 0.0007 Å |
c | 12.0187 ± 0.0011 Å |
α | 96.617 ± 0.001° |
β | 102.096 ± 0.002° |
γ | 90.948 ± 0.001° |
Cell volume | 536.07 ± 0.08 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1434 |
Residual factor for significantly intense reflections | 0.0665 |
Weighted residual factors for significantly intense reflections | 0.1146 |
Weighted residual factors for all reflections included in the refinement | 0.1324 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/1511972.html
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Users of the data should acknowledge the original authors of the
structural data.