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Information card for entry 1501803
Preview
| Coordinates | 1501803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H79 N6 O13.5 |
|---|---|
| Calculated formula | C49 H79 N6 O13.5 |
| SMILES | O=C1O[C@@H](C(C(=O)N[C@H](C(=O)N2[C@H](C(=O)O[C@H](C(=O)N3[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N5[C@H]1CCC5)[C@@H](Cc1ccccc1)C)CCC4)CCC3)C(C)C)CCC2)C(C)C)(C)C)CCC.O.O.O.O |
| Title of publication | Pitiprolamide, a proline-rich dolastatin 16 analogue from the marine cyanobacterium Lyngbya majuscula from Guam. |
| Authors of publication | Montaser, Rana; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik |
| Journal of publication | Journal of natural products |
| Year of publication | 2011 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 109 - 112 |
| a | 10.534 ± 0.002 Å |
| b | 14.952 ± 0.003 Å |
| c | 33.511 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5278.1 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1639 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.727 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1501803.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501803.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501803.cif |
| 35157 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501803 via cif-deposit CGI script. |
1501803.cif |
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Users of the data should acknowledge the original authors of the
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