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Information card for entry 1503452
Preview
| Coordinates | 1503452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | psidial A |
|---|---|
| Formula | C30 H34 O5 |
| Calculated formula | C30 H34 O5 |
| SMILES | O1[C@@]2(CC[C@@H]3[C@@H](C(=C)CC[C@H]2[C@H](c2c1c(c(O)c(c2O)C=O)C=O)c1ccccc1)CC3(C)C)C |
| Title of publication | Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava. |
| Authors of publication | Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 21 |
| Pages of publication | 5040 - 5043 |
| a | 11.1498 ± 0.0001 Å |
| b | 11.1498 ± 0.0001 Å |
| c | 40.4482 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5028.44 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1503452.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. |
1503452.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503452.cif |
| 37319 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503452 via cif-deposit CGI script. |
1503452.cif |
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