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Information card for entry 1502822
Preview
| Coordinates | 1502822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H26 N4 O3 |
|---|---|
| Calculated formula | C29 H26 N4 O3 |
| SMILES | O(c1cnc(c2[nH]c3c(c12)cccc3OC)[C@@H]1CC[C@H]1c1c2[nH]c3c(c2c(OC)cn1)cccc3)C.O(c1cnc(c2[nH]c3c(c12)cccc3OC)[C@H]1CC[C@@H]1c1c2[nH]c3c(c2c(OC)cn1)cccc3)C |
| Title of publication | Quassidines A-D, bis-beta-carboline alkaloids from the stems of Picrasma quassioides. |
| Authors of publication | Jiao, Wei-Hua; Gao, Hao; Li, Chen-Yang; Zhao, Feng; Jiang, Ren-Wang; Wang, Ying; Zhou, Guang-Xiong; Yao, Xin-Sheng |
| Journal of publication | Journal of natural products |
| Year of publication | 2010 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 167 - 171 |
| a | 12.151 ± 0.002 Å |
| b | 8.4812 ± 0.0017 Å |
| c | 22.796 ± 0.005 Å |
| α | 90° |
| β | 91.48 ± 0.03° |
| γ | 90° |
| Cell volume | 2348.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1502822.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. |
1502822.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502822.cif |
| 36781 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502822 via cif-deposit CGI script. |
1502822.cif |
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