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Information card for entry 1502481
Preview
| Coordinates | 1502481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Mattson 1804 |
|---|---|
| Formula | C32 H24 O3 Si |
| Calculated formula | C32 H24 O3 Si |
| SMILES | c12c(c3ccccc3cc1c1ccccc1)c1c(c(cc3c1cccc3)c1ccccc1)[Si]2(O)O.O |
| Title of publication | Silanediols: a new class of hydrogen bond donor catalysts. |
| Authors of publication | Schafer, Andrew G.; Wieting, Joshua M.; Mattson, Anita E. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 19 |
| Pages of publication | 5228 - 5231 |
| a | 7.1095 ± 0.0001 Å |
| b | 13.99 ± 0.0001 Å |
| c | 25.1839 ± 0.0002 Å |
| α | 90° |
| β | 90.451 ± 0.001° |
| γ | 90° |
| Cell volume | 2504.76 ± 0.04 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1502481.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. |
1502481.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502481.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502481.cif |
| 35778 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502481 via cif-deposit CGI script. |
1502481.cif |
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Users of the data should acknowledge the original authors of the
structural data.