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Information card for entry 2008521
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| Coordinates | 2008521.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | TNLP |
|---|---|
| Chemical name | Theonellapeptolide-Id |
| Formula | C70 H149 N13 O28 |
| Calculated formula | C70 H125 N13 O27.65 |
| Title of publication | The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge <i>Theonella swinhoei</i> |
| Authors of publication | Mitsunobu Doi; Toshimasa Ishida; Motomasa Kobayashi; Jeffrey R. Deschamps; Judith L. Flippen-Anderson |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 796 - 798 |
| a | 21.205 ± 0.004 Å |
| b | 37.941 ± 0.008 Å |
| c | 12.227 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9837 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.136 |
| Residual factor for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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