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Information card for entry 4025170
Preview
Coordinates | 4025170.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H20 N4 O |
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Calculated formula | C19 H20 N4 O |
SMILES | O=C(NCCN1CCn2nc3c(c12)cccc3)c1ccc(cc1)C |
Title of publication | Unprecedented Rearrangement of 2-(2-Aminoethyl)-1-aryl-3,4-dihydropyrazino[1,2-b]indazole-2-ium 6-oxides to 2,3-Dihydro-1H-imidazo[1,2-b]indazoles |
Authors of publication | Jan Kočí; Allen G. Oliver; Viktor Krchňák |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 502 - 505 |
a | 7.6124 ± 0.0004 Å |
b | 12.5446 ± 0.0007 Å |
c | 17.6687 ± 0.0009 Å |
α | 93.389 ± 0.003° |
β | 95.731 ± 0.003° |
γ | 104.216 ± 0.003° |
Cell volume | 1621.29 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0635 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1285 |
Weighted residual factors for all reflections included in the refinement | 0.1382 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4025170.html
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