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Information card for entry 4037687
Preview
Coordinates | 4037687.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H16 N2 |
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Calculated formula | C15 H16 N2 |
SMILES | n1c2ccccc2c2cc[nH]c2c1CC(C)C |
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 | 17.2396 ± 0.0002 Å |
b | 17.2396 ± 0.0002 Å |
c | 8.5097 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2529.12 ± 0.07 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
Space group number | 114 |
Hermann-Mauguin space group symbol | P -4 21 c |
Hall space group symbol | P -4 2n |
Residual factor for all reflections | 0.0367 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for all reflections | 0.0843 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0843 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9965 |
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/4037687.html
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