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Information card for entry 4038435
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Coordinates | 4038435.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H15 N O4 |
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Calculated formula | C18 H15 N O4 |
Title of publication | Cross-coupling of amide and amide derivatives to umbelliferone nonaflates: synthesis of coumarin derivatives and fluorescent materials. |
Authors of publication | Hickey, Shane; Nitschke, Samuel; Sweetman, Martin Jay; Sumby, Christopher J.; Brooks, Douglas A.; Plush, Sally E.; Ashton, Trent D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 14.2902 ± 0.0002 Å |
b | 15.0604 ± 0.0002 Å |
c | 6.8511 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1474.47 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4038435.html
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Users of the data should acknowledge the original authors of the
structural data.