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Information card for entry 1553402
Preview
Coordinates | 1553402.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 O8 |
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Calculated formula | C21 H24 O8 |
SMILES | O[C@]12CC=C[C@]3(O)[C@]1(CC[C@@H]([C@@]3(CC(=O)c1ccoc1)C)C(=O)OC)COC2=O |
Title of publication | Amarisolide F, an Acylated Diterpenoid Glucoside and Related Terpenoids from Salvia amarissima. |
Authors of publication | Fragoso-Serrano, Mabel; Ortiz-Pastrana, Naytzé; Luna-Cruz, Norma; Toscano, Rubén A; Alpuche-Solís, Angel G; Ortega, Alfredo; Bautista, Elihú |
Journal of publication | Journal of natural products |
Year of publication | 2019 |
Journal volume | 82 |
Journal issue | 3 |
Pages of publication | 631 - 635 |
a | 9.7873 ± 0.0003 Å |
b | 10.4684 ± 0.0003 Å |
c | 18.7272 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1918.74 ± 0.1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0417 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0956 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/1553402.html
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