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Information card for entry 1502601
Preview
| Coordinates | 1502601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H44 O6 Si |
|---|---|
| Calculated formula | C29 H44 O6 Si |
| SMILES | [Si](O[C@H]1[C@H](OCc2ccccc2)[C@H]2OC(O[C@]2([C@@]2(O)C(=O)C=CC[C@@H]12)CCC)(C)C)(C)(C)C(C)(C)C |
| Title of publication | Gram-scale synthesis of the A'B'-subunit of angelmicin B. |
| Authors of publication | Milgram, Benjamin C.; Liau, Brian B.; Shair, Matthew D. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 24 |
| Pages of publication | 6436 - 6439 |
| a | 11.575 ± 0.0004 Å |
| b | 8.1302 ± 0.0003 Å |
| c | 16.0924 ± 0.0005 Å |
| α | 90° |
| β | 107.288 ± 0.002° |
| γ | 90° |
| Cell volume | 1445.99 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1502601.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. |
1502601.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502601.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502601.cif |
| 35886 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502601 via cif-deposit CGI script. |
1502601.cif |
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Users of the data should acknowledge the original authors of the
structural data.