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Information card for entry 1502218
Preview
| Coordinates | 1502218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H43 O3 Si |
|---|---|
| Calculated formula | C30 H43 O3 Si |
| SMILES | [Si](O[C@H]1CC[C@@]2([C@@H]3[C@H](C4=C2[C@@H]1[C@H]1[C@H]([C@]2([C@H]5[C@@H]([C@@](O)(C2=CC1=O)C)C5)C)C4)C3)C)(C)(C)C(C)(C)C.[Si](O[C@@H]1CC[C@]2([C@H]3[C@@H](C4=C2[C@H]1[C@@H]1[C@@H]([C@@]2([C@@H]5[C@H]([C@](O)(C2=CC1=O)C)C5)C)C4)C3)C)(C)(C)C(C)(C)C |
| Title of publication | A concise construction of the chlorahololide heptacyclic core. |
| Authors of publication | Lu, Yin-Suo; Peng, Xiao-Shui |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 2940 - 2943 |
| a | 16.731 ± 0.008 Å |
| b | 12.758 ± 0.006 Å |
| c | 13.573 ± 0.006 Å |
| α | 90° |
| β | 104.046 ± 0.01° |
| γ | 90° |
| Cell volume | 2811 ± 2 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 | 0.0976 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.2026 |
| Weighted residual factors for all reflections included in the refinement | 0.2263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1502218.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502218.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502218.cif |
| 35527 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502218 via cif-deposit CGI script. |
1502218.cif |
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Users of the data should acknowledge the original authors of the
structural data.