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Information card for entry 7157837
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Coordinates | 7157837.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H25 Br N2 O5 |
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Calculated formula | C24 H25 Br N2 O5 |
Title of publication | Fusarochromene, a novel tryptophan-derived metabolite from <i>Fusarium sacchari</i>. |
Authors of publication | Marshall, James W.; de Mattos-Shipley, Kate M J; Ghannam, Iman A. Y.; Munawar, Asifa; Killen, Jonathan C.; Lazarus, Colin M.; Cox, Russell J.; Willis, Christine L.; Simpson, Thomas J. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 1 |
Pages of publication | 182 - 187 |
a | 4.9355 ± 0.0004 Å |
b | 9.9998 ± 0.0008 Å |
c | 44.492 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2195.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1216 |
Weighted residual factors for all reflections included in the refinement | 0.122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7157837.html
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Users of the data should acknowledge the original authors of the
structural data.