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Information card for entry 7122523
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| Coordinates | 7122523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone |
|---|---|
| Chemical name | 3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone |
| Formula | C14 H16 O5 |
| Calculated formula | C14 H16 O5 |
| Title of publication | Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis. |
| Authors of publication | Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir |
| Journal of publication | MedChemComm |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 12 |
| Pages of publication | 2017 - 2027 |
| a | 7.6832 ± 0.0002 Å |
| b | 7.5202 ± 0.0003 Å |
| c | 11.6492 ± 0.0004 Å |
| α | 90° |
| β | 91.533 ± 0.003° |
| γ | 90° |
| Cell volume | 672.84 ± 0.04 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230142 (current) | 2019-11-17 | cif/ Updating files of 7122519, 7122520, 7122521, 7122522, 7122523, 7122524 Original log message: Adding full bibliography for 7122519--7122524.cif. |
7122523.cif |
| 211675 | 2018-10-27 | cif/ Adding structures of 7122519, 7122520, 7122521, 7122522, 7122523, 7122524 via cif-deposit CGI script. |
7122523.cif |
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Users of the data should acknowledge the original authors of the
structural data.