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Information card for entry 1506291
Preview
| Coordinates | 1506291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H30 N4 O5 S |
|---|---|
| Calculated formula | C29 H30 N4 O5 S |
| SMILES | OC.OC.C1(=O)c2c([C@@H]([C@H](CN1)NS(=O)(=O)c1ccc(cc1)C)c1c[nH]c3c1cc(cc3)OC)c1ccccc1[nH]2.C1(=O)c2c([C@H]([C@@H](CN1)NS(=O)(=O)c1ccc(cc1)C)c1c[nH]c3c1cc(cc3)OC)c1ccccc1[nH]2 |
| Title of publication | New synthetic protocols for the preparation of unsymmetrical bisindoles |
| Authors of publication | Kaiser, Hanns Martin; Lo, Wei Fun; Riahi, Abdol Majid; Spannenberg, Anke; Beller, Matthias; Tse, Man Kin |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 25 |
| Pages of publication | 5761 - 5764 |
| a | 13.641 ± 0.003 Å |
| b | 16.424 ± 0.003 Å |
| c | 12.005 ± 0.002 Å |
| α | 90° |
| β | 94.29 ± 0.03° |
| γ | 90° |
| Cell volume | 2682.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0879 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0816 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189517 (current) | 2017-01-01 | cif/1/50/ (antanas@kurmis) Marking attached hydrogen atoms in entries 1503040, 1503461, 1503784, 1506291, 1508318. |
1506291.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. |
1506291.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506291.cif |
| 48159 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506291 via cif-deposit CGI script. |
1506291.cif |
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Users of the data should acknowledge the original authors of the
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