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Information card for entry 1566170
Preview
Coordinates | 1566170.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H9 N O2 |
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Calculated formula | C13 H9 N O2 |
SMILES | O=C1c2cccnc2c2ccc(cc12)OC |
Title of publication | Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation |
Authors of publication | Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence |
Journal of publication | Tetrahedron |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 47 |
Pages of publication | 10123 - 10133 |
a | 15.323 ± 0.003 Å |
b | 3.8645 ± 0.0007 Å |
c | 17.224 ± 0.003 Å |
α | 90° |
β | 112.183 ± 0.006° |
γ | 90° |
Cell volume | 944.4 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0774 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1524 |
Weighted residual factors for all reflections included in the refinement | 0.1754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1566170.html
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Users of the data should acknowledge the original authors of the
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