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Information card for entry 1503773
Preview
Coordinates | 1503773.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H19 N O S |
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Calculated formula | C27 H19 N O S |
SMILES | s1c2c(C(c3c4c(c(=O)n(c23)Cc2ccccc2)cccc4)c2ccccc2)cc1 |
Title of publication | Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines. |
Authors of publication | Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C. |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 815 - 818 |
a | 9.5541 ± 0.0017 Å |
b | 10.3489 ± 0.0019 Å |
c | 10.431 ± 0.002 Å |
α | 85.898 ± 0.002° |
β | 79.88 ± 0.003° |
γ | 78.751 ± 0.003° |
Cell volume | 995.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0602 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1456 |
Weighted residual factors for all reflections included in the refinement | 0.1495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/1503773.html
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