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Information card for entry 1572167
Preview
Coordinates | 1572167.cif |
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Original paper (by DOI) | HTML |
Formula | C88.5 H95 O8 |
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Calculated formula | C88 H101.5 O8 |
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 | 7.4527 ± 0.0001 Å |
b | 16.7911 ± 0.0002 Å |
c | 18.3652 ± 0.0003 Å |
α | 105.931 ± 0.001° |
β | 93.863 ± 0.001° |
γ | 90.313 ± 0.001° |
Cell volume | 2204.23 ± 0.05 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 | 0.0849 |
Residual factor for significantly intense reflections | 0.0813 |
Weighted residual factors for significantly intense reflections | 0.2294 |
Weighted residual factors for all reflections included in the refinement | 0.2368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
1572167.cif |
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Users of the data should acknowledge the original authors of the
structural data.