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Information card for entry 7159615
Preview
Coordinates | 7159615.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H27 F2 N O4 |
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Calculated formula | C23 H27 F2 N O4 |
Title of publication | C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands. |
Authors of publication | Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 45 |
Pages of publication | 9091 - 9100 |
a | 8.7371 ± 0.0004 Å |
b | 13.1143 ± 0.0005 Å |
c | 8.7598 ± 0.0004 Å |
α | 90° |
β | 107.946 ± 0.003° |
γ | 90° |
Cell volume | 954.87 ± 0.07 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0802 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7159615.html
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Users of the data should acknowledge the original authors of the
structural data.