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Information card for entry 4024742
Preview
| Coordinates | 4024742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H34 N8 O2 |
|---|---|
| Calculated formula | C34 H34 N8 O2 |
| SMILES | c1cccc2c1CN=C1N(C2)C(=O)C2=C[C@@H](CN(CC=C)N12)[C@]12C=CCN(CC=C)N2C2=NCc3c(CN2C1=O)cccc3.c1cccc2c1CN=C1N(C2)C(=O)C2=C[C@H](CN(CC=C)N12)[C@@]12C=CCN(CC=C)N2C2=NCc3c(CN2C1=O)cccc3 |
| 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 | 10.597 ± 0.0004 Å |
| b | 11.468 ± 0.0005 Å |
| c | 13.469 ± 0.0007 Å |
| α | 101.774 ± 0.0018° |
| β | 101.791 ± 0.0016° |
| γ | 97.419 ± 0.0019° |
| Cell volume | 1543.47 ± 0.12 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0851 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| 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. |
4024742.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024742.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024742.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. |
4024742.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. |
4024742.cif |
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