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Information card for entry 7246959
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Coordinates | 7246959.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2S,3R,6R,7R,E)-7-((4-bromobenzoyl)oxy)-6-methoxy-7-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)hept-4-ene-2,3-diyl diacetate |
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Formula | C24 H27 Br O9 |
Calculated formula | C24 H27 Br O9 |
Title of publication | Ternifolipyrons A–J: new cytotoxic α-pyrones from Isodon ternifolius (D. Don) Kudô |
Authors of publication | Elshamy, Abdelsamed I.; Mohamed, Tarik A.; Swapana, Ningombam; Kasai, Yusuke; Noji, Masaaki; Efferth, Thomas; Imagawa, Hiroshi; Hegazy, Mohamed-Elamir F.; Umeyama, Akemi |
Journal of publication | RSC Advances |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 29 |
Pages of publication | 19710 - 19720 |
a | 13.5903 ± 0.0013 Å |
b | 6.6575 ± 0.0006 Å |
c | 13.8833 ± 0.0013 Å |
α | 90° |
β | 100.193 ± 0.001° |
γ | 90° |
Cell volume | 1236.3 ± 0.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0284 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0582 |
Weighted residual factors for all reflections included in the refinement | 0.0592 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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