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Information card for entry 1507152
Preview
| Coordinates | 1507152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C29 H39 O11.5 |
|---|---|
| Calculated formula | C29 H36 O11.5 |
| SMILES | O.O=C1O[C@]23C[C@]4(O)[C@@H]([C@H]5O[C@@]6(OC(=O)C[C@@]6([C@H]5C4)C)[C@@H](/C=C/4OC(=O)C(=C4)C)C)CC[C@H]2[C@](O[C@@H]3C1)(C)CO.O |
| Title of publication | Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia. |
| Authors of publication | Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong |
| Journal of publication | Organic Letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 1286 - 1289 |
| a | 20.2712 ± 0.0005 Å |
| b | 6.8588 ± 0.0002 Å |
| c | 21.9489 ± 0.0006 Å |
| α | 90° |
| β | 109.756 ± 0.001° |
| γ | 90° |
| Cell volume | 2872.07 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0608 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1636 |
| Weighted residual factors for all reflections included in the refinement | 0.1671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218683 (current) | 2019-09-22 | cif/1/ Updated bibliographic information in entries 1507152-1507154, 1516096. |
1507152.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. |
1507152.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. |
1507152.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507152.cif |
| 86241 | 2013-05-15 | smi/1 Adding SMILES for fixed false C-radicals |
1507152.cif |
| 51884 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507152 via cif-deposit CGI script. |
1507152.cif |
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Users of the data should acknowledge the original authors of the
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