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Information card for entry 1519787
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Coordinates | 1519787.cif |
---|
Formula | C13 H11 F N4 O3 |
---|---|
Calculated formula | C13 H11 F N4 O3 |
SMILES | c1(ccnc2c1[nH]c(=O)cn2)Oc1cc(c(cc1)N)F.O |
Title of publication | 8-(4-amino-3-fluorophenoxy)pyrido[2,3-b]pyrazin-2(1H)-one |
Authors of publication | Springer, Caroline J.; Suijkerbuijk, Bart M. J. M.; Davies, Lawrence; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2007 |
Pages of publication | 105 |
a | 6.9077 ± 0.0008 Å |
b | 24.201 ± 0.003 Å |
c | 7.7428 ± 0.0007 Å |
α | 90° |
β | 100.062 ± 0.006° |
γ | 90° |
Cell volume | 1274.5 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1575 |
Residual factor for significantly intense reflections | 0.0919 |
Weighted residual factors for significantly intense reflections | 0.1507 |
Weighted residual factors for all reflections included in the refinement | 0.1822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519787.html
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