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Information card for entry 4024745
Preview
| Coordinates | 4024745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H30 Br4 N10 O4 |
|---|---|
| Calculated formula | C38 H30 Br4 N10 O4 |
| SMILES | Brc1cc(C(=O)N2N3[C@@H]([C@H]4[C@]56N(C7=NCc8c(cccc8)CN7C5=O)N(C[C@H](C6)[C@H]4C2)C(=O)c2[nH]c(Br)c(Br)c2)C(=O)N2C3=NCc3c(C2)cccc3)[nH]c1Br.Brc1cc(C(=O)N2N3[C@H]([C@@H]4[C@@]56N(C7=NCc8c(cccc8)CN7C5=O)N(C[C@@H](C6)[C@@H]4C2)C(=O)c2[nH]c(Br)c(Br)c2)C(=O)N2C3=NCc3c(C2)cccc3)[nH]c1Br |
| Title of publication | Exploring Symmetry-Based Logic for a Synthesis of Palau'amine |
| Authors of publication | Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 5909 - 5919 |
| a | 27.784 ± 0.0018 Å |
| b | 27.784 ± 0.0018 Å |
| c | 21.975 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16963.6 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1336 |
| Residual factor for significantly intense reflections | 0.0899 |
| Weighted residual factors for significantly intense reflections | 0.2017 |
| Weighted residual factors for all reflections included in the refinement | 0.2214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178426 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/47. |
4024745.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024745.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024745.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024745.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024745.cif |
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