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Information card for entry 1572169
Preview
Coordinates | 1572169.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H46 O6 |
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Calculated formula | C42 H44.5 O6 |
Title of publication | Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B |
Authors of publication | Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh |
Journal of publication | Chemical Science |
Year of publication | 2024 |
a | 6.2642 ± 0.0003 Å |
b | 8.0505 ± 0.0002 Å |
c | 36.8967 ± 0.0006 Å |
α | 86.519 ± 0.002° |
β | 86.864 ± 0.002° |
γ | 67.266 ± 0.003° |
Cell volume | 1711.99 ± 0.1 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1242 |
Residual factor for significantly intense reflections | 0.1227 |
Weighted residual factors for significantly intense reflections | 0.3578 |
Weighted residual factors for all reflections included in the refinement | 0.3615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.828 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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293538 (current) | 2024-07-26 | cif/ Adding structures of 1572167, 1572168, 1572169 via cif-deposit CGI script. |
1572169.cif |
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Users of the data should acknowledge the original authors of the
structural data.