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Information card for entry 1512337
Preview
| Coordinates | 1512337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | DM02-176B |
|---|---|
| Chemical name | sarpong40 |
| Formula | C26 H34 N2 O5 |
| Calculated formula | C26 H34 N2 O5 |
| SMILES | c12C([C@@]3(C[C@@H]4CCCC(=O)N4[C@@]3(Cc1c1ccccc1n2C(=O)OC(C)(C)C)CO)O)(C)C.c12C([C@]3(C[C@H]4CCCC(=O)N4[C@]3(Cc1c1ccccc1n2C(=O)OC(C)(C)C)CO)O)(C)C |
| Title of publication | Synthetic Studies toward the Citrinadin A and B Core Architecture. |
| Authors of publication | Mundal, Devon A.; Sarpong, Richmond |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 19 |
| Pages of publication | 4952 - 4955 |
| a | 10.8816 ± 0.0007 Å |
| b | 12.2655 ± 0.0008 Å |
| c | 18.867 ± 0.0012 Å |
| α | 94.346 ± 0.003° |
| β | 106.589 ± 0.002° |
| γ | 102.455 ± 0.003° |
| Cell volume | 2331 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1512337.cif |
| 204147 | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1512337.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. |
1512337.cif |
| 89111 | 2013-10-09 | cif/ Adding structures of 1512337 via cif-deposit CGI script. |
1512337.cif |
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Users of the data should acknowledge the original authors of the
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