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Information card for entry 1504817
Preview
| Coordinates | 1504817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bipleiophylline |
|---|---|
| Formula | C49 H52 N4 O9 |
| Calculated formula | C49 H52 N4 O9 |
| SMILES | O(C(=O)[C@H]1N2[C@]34OC(=O)c5c(O)c6O[C@@]78N9c%10c([C@@]8(c6cc5[C@@]4(CCN4[C@H]3C[C@H]1C(=C\C)/C4)c1ccccc21)CCN1[C@H]7C[C@H]([C@H]9C(=O)OC)/C(=C\C)C1)cccc%10)C.OCC |
| Title of publication | Bipleiophylline, an unprecedented cytotoxic bisindole alkaloid constituted from the bridging of two indole moieties by an aromatic spacer unit. |
| Authors of publication | Kam, Toh-Seok; Tan, Shin-Jowl; Ng, Seik-Weng; Komiyama, Kanki |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 17 |
| Pages of publication | 3749 - 3752 |
| a | 9.1602 ± 0.0001 Å |
| b | 9.9973 ± 0.0002 Å |
| c | 12.4147 ± 0.0002 Å |
| α | 79.119 ± 0.001° |
| β | 81.756 ± 0.001° |
| γ | 72.924 ± 0.001° |
| Cell volume | 1062.55 ± 0.03 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1504817.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504817.cif |
| 42389 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504817 via cif-deposit CGI script. |
1504817.cif |
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Users of the data should acknowledge the original authors of the
structural data.