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Information card for entry 1503684
Preview
| Coordinates | 1503684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C30 H48 O4 |
|---|---|
| Calculated formula | C30 H48 O4 |
| SMILES | O=C1CC[C@]2([C@H](C1(C)C)CC=C1[C@@H]2CC[C@@]2([C@@]1(C[C@H](O)[C@H]2[C@@H]1[C@@H](O)[C@@H](CC1)C(O)(C)C)C)C)C |
| Title of publication | Protolimonoids from Melia toosendan. |
| Authors of publication | Sang, Yi Shu; Zhou, Chun Yan; Lu, Ai Jun; Yin, Xiao Jin; Min, Zhi Da; Tan, Ren Xiang |
| Journal of publication | Journal of natural products |
| Year of publication | 2009 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 917 - 920 |
| a | 7.691 ± 0.0015 Å |
| b | 10.688 ± 0.002 Å |
| c | 16.499 ± 0.003 Å |
| α | 90° |
| β | 99.96 ± 0.03° |
| γ | 90° |
| Cell volume | 1335.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1272 |
| Residual factor for significantly intense reflections | 0.0816 |
| Weighted residual factors for significantly intense reflections | 0.1922 |
| Weighted residual factors for all reflections included in the refinement | 0.26 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
1503684.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1503684.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. |
1503684.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503684.cif |
| 38983 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503684 via cif-deposit CGI script. |
1503684.cif |
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Users of the data should acknowledge the original authors of the
structural data.