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Information card for entry 1503341
Preview
| Coordinates | 1503341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Psidial A |
|---|---|
| Chemical name | 7,9-dihydroxy-2,2,4a- trimethyl-13-methylene-10-phenyl-1,2,2a,3,4,4a,10, 10a,11,12,13,13a-dodecahydrocyclobuta[6,7] cyclonona[b]chromene-6,8-dicarbaldehyde |
| Formula | C30 H34 O5 |
| Calculated formula | C30 H34 O5 |
| SMILES | O1c2c(c(O)c(c(O)c2[C@H]([C@@H]2[C@@]1(CC[C@H]1[C@H](C(=C)CC2)CC1(C)C)C)c1ccccc1)C=O)C=O |
| Title of publication | Psidials A-C, three unusual meroterpenoids from the leaves of Psidium guajava L. |
| Authors of publication | Fu, Hui-Zheng; Luo, Yong-Ming; Li, Chuang-Jun; Yang, Jing-Zhi; Zhang, Dong-Ming |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 656 - 659 |
| a | 11.196 ± 0.001 Å |
| b | 11.196 ± 0.001 Å |
| c | 40.747 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5107.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1503341.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. |
1503341.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503341.cif |
| 37216 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503341 via cif-deposit CGI script. |
1503341.cif |
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