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Information card for entry 1514988
Preview
| Coordinates | 1514988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | RajanBabu 1842 |
|---|---|
| Formula | C29 H37 N O8 Si |
| Calculated formula | C29 H37 N O8 Si |
| SMILES | c1(c(cc2c(c1OC)OCO2)[C@@H](C#C[Si](C)(C)C)O)c1c(cc(c(c1OC)OC)OC)C1=N[C@H](CO1)C(C)C |
| Title of publication | On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans |
| Authors of publication | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 1221 |
| a | 10.1179 ± 0.0001 Å |
| b | 13.7992 ± 0.0001 Å |
| c | 21.5342 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3006.58 ± 0.05 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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 |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1514988.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. |
1514988.cif |
| 110834 | 2014-04-20 | cif/ Adding structures of 1514984, 1514985, 1514986, 1514987, 1514988, 1514989, 1514990 via cif-deposit CGI script. |
1514988.cif |
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Users of the data should acknowledge the original authors of the
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