Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4102784
Preview
| Coordinates | 4102784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C140 H192 Cu O16 P3 |
|---|---|
| Calculated formula | C140 H192 Cu O16 P3 |
| Title of publication | Direct Catalytic Asymmetric Conjugate Addition of Terminal Alkynes to α,β-Unsaturated Thioamides |
| Authors of publication | Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 10275 - 10277 |
| a | 17.2825 ± 0.0003 Å |
| b | 23.4559 ± 0.0004 Å |
| c | 18.2009 ± 0.0013 Å |
| α | 90° |
| β | 114.427 ± 0.008° |
| γ | 90° |
| Cell volume | 6717.8 ± 0.7 Å3 |
| Cell temperature | 153.1 K |
| Ambient diffraction temperature | 153.1 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 significantly intense reflections | 0.0551 |
| Weighted residual factors for all reflections included in the refinement | 0.1493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4102784.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4102784.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102784.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102784.cif |
| 25701 | 2011-09-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4102784 via cif-deposit CGI script. |
4102784.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.