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Information card for entry 1505223
Preview
| Coordinates | 1505223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C31 H53 N5 O11 |
|---|---|
| Calculated formula | C31 H53 N5 O11 |
| SMILES | C1(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CC(C)C)NC(=O)CN1.CO.O.O |
| Title of publication | Cyclic peptides from an endophytic fungus obtained from a mangrove leaf (Kandelia candel). |
| Authors of publication | Huang, Huarong; She, Zhigang; Lin, Yongcheng; Vrijmoed, L. L. P.; Lin, Wenhan |
| Journal of publication | Journal of natural products |
| Year of publication | 2007 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1696 - 1699 |
| a | 7.156 ± 0.002 Å |
| b | 30.155 ± 0.009 Å |
| c | 8.678 ± 0.003 Å |
| α | 90° |
| β | 103.888 ± 0.005° |
| γ | 90° |
| Cell volume | 1817.9 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1572 |
| Weighted residual factors for all reflections included in the refinement | 0.1741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287882 (current) | 2023-11-30 | cif/1/50/52/ Removed extra trailing question marks ('?') from data names in entries 1505223, 1505224. |
1505223.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505223.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505223.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505223.cif |
| 45433 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505223, 1505224 via cif-deposit CGI script. |
1505223.cif |
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Users of the data should acknowledge the original authors of the
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