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Information card for entry 1518647
Preview
| Coordinates | 1518647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H44 N2 O7 Si |
|---|---|
| Calculated formula | C33 H44 N2 O7 Si |
| Title of publication | Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids. |
| Authors of publication | Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 3 |
| Pages of publication | 512 - 515 |
| a | 18.0919 ± 0.0007 Å |
| b | 10.7097 ± 0.0004 Å |
| c | 18.935 ± 0.0007 Å |
| α | 90° |
| β | 107.979 ± 0.002° |
| γ | 90° |
| Cell volume | 3489.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1851 |
| Residual factor for significantly intense reflections | 0.0874 |
| Weighted residual factors for significantly intense reflections | 0.1825 |
| Weighted residual factors for all reflections included in the refinement | 0.2369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1518647.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. |
1518647.cif |
| 132999 | 2015-03-04 | cif/ Updating files of 1518646, 1518647, 1518648 Original log message: Adding full bibliography for 1518646--1518648.cif. |
1518647.cif |
| 130872 | 2015-02-04 | cif/ Adding structures of 1518646, 1518647, 1518648 via cif-deposit CGI script. |
1518647.cif |
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Users of the data should acknowledge the original authors of the
structural data.