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Information card for entry 1502815
Preview
| Coordinates | 1502815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Scholaricine |
|---|---|
| Formula | C44 H58 N4 O11 |
| Calculated formula | C44 H58 N4 O11 |
| SMILES | CC(=O)OCC.[C@@H]12[C@@]3([C@@H]4C[C@H]([C@@H]1C(=O)OC)[C@H]([C@H](C)O)CN4CC3)c1cccc(c1N2)O.[C@@H]12[C@@]3([C@@H]4C[C@H]([C@@H]1C(=O)OC)[C@H]([C@H](C)O)CN4CC3)c1cccc(c1N2)O.O |
| Title of publication | Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine. |
| Authors of publication | Tan, Shin-Jowl; Low, Yun-Yee; Choo, Yeun-Mun; Abdullah, Zanariah; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok |
| Journal of publication | Journal of natural products |
| Year of publication | 2010 |
| Journal volume | 73 |
| Journal issue | 11 |
| Pages of publication | 1891 - 1897 |
| a | 10.4901 ± 0.0003 Å |
| b | 18.5736 ± 0.0005 Å |
| c | 21.1075 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4112.56 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0839 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1509 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1502815.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502815.cif |
| 36774 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502815 via cif-deposit CGI script. |
1502815.cif |
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