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Information card for entry 1503704
Preview
| Coordinates | 1503704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H52 N4 O7 |
|---|---|
| Calculated formula | C43 H52 N4 O7 |
| SMILES | O1[C@H]2[C@]3(CN4CC[C@@]56C(=C(C[C@@]2(CC1)[C@H]46)C(=O)OC)Nc1c5cccc1)C[C@H]1[C@]2(O)N(c4c([C@]52CCN2CC[C@@H]6OCC[C@]6(C1)[C@@H]52)cccc4OC)C3.O |
| Title of publication | Biscarpamontamines A and B, an aspidosperma-iboga bisindole alkaloid and an aspidosperma-aspidosperma bisindole alkaloid, from Tabernaemontana sphaerocarpa. |
| Authors of publication | Zaima, Kazumasa; Hirata, Tomoko; Hosoya, Takahiro; Hirasawa, Yusuke; Koyama, Koichiro; Rahman, Abdul; Kusumawati, Idha; Zaini, Noor Cholies; Shiro, Motoo; Morita, Hiroshi |
| Journal of publication | Journal of natural products |
| Year of publication | 2009 |
| Journal volume | 72 |
| Journal issue | 9 |
| Pages of publication | 1686 - 1690 |
| a | 11.273 ± 0.0002 Å |
| b | 12.2662 ± 0.0002 Å |
| c | 13.8488 ± 0.0007 Å |
| α | 90° |
| β | 110.912 ± 0.0007° |
| γ | 90° |
| Cell volume | 1788.83 ± 0.1 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198673 (current) | 2017-07-12 | cif/1/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 1502971, 1503489, 1503704, 1504813, 1520164, 1520363, 1520459, 1520462, 1520466, 1529588, 1530156, 1534213, 1534272, 1534273, 1534274, 1535498, 1535538, 1535541, 1535559, 1535777, 1535785, 1535858, 1535862, 1535947, 1540772, 1540822, 1540823, 1540910, 1541006, 1541127, 1541351, 1541503, 1541579, 1546458. |
1503704.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1503704.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503704.cif |
| 39003 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503704 via cif-deposit CGI script. |
1503704.cif |
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Users of the data should acknowledge the original authors of the
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