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Information card for entry 4037683
Preview
Coordinates | 4037683.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H13 N3 O |
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Calculated formula | C20 H13 N3 O |
SMILES | n1c(c2c(c3ccccc13)cc[nH]2)C(=O)c1c[nH]c2c1cccc2 |
Title of publication | Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway. |
Authors of publication | Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
a | 3.836 ± 0.0001 Å |
b | 11.6306 ± 0.0004 Å |
c | 32.4071 ± 0.0011 Å |
α | 90° |
β | 91.612 ± 0.003° |
γ | 90° |
Cell volume | 1445.27 ± 0.08 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
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 | 0.0516 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for all reflections | 0.1353 |
Weighted residual factors for significantly intense reflections | 0.1318 |
Weighted residual factors for all reflections included in the refinement | 0.1353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0021 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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