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Information card for entry 1501848
Preview
| Coordinates | 1501848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Alstoumerine |
|---|---|
| Formula | C22 H26 Cl6 N2 O2 |
| Calculated formula | C22 H26 Cl6 N2 O2 |
| SMILES | ClC(Cl)Cl.ClC(Cl)Cl.OC[C@@H]1[C@H]2C[C@@H]3N([C@H]1Cc1c3n(c3c1cccc3)C)C=C2[C@@H](O)C |
| Title of publication | Lumutinines A-D, linearly fused macroline-macroline and macroline-sarpagine bisindoles from Alstonia macrophylla. |
| Authors of publication | Lim, Siew-Huah; Tan, Shin-Jowl; Low, Yun-Yee; Kam, Toh-Seok |
| Journal of publication | Journal of natural products |
| Year of publication | 2011 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 2556 - 2562 |
| a | 10.389 ± 0.0002 Å |
| b | 10.4473 ± 0.0002 Å |
| c | 23.0709 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2504.05 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0493 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1501848.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501848.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501848.cif |
| 35201 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501848 via cif-deposit CGI script. |
1501848.cif |
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