Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4104833
Preview
| Coordinates | 4104833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | SW-V-172b |
|---|---|
| Chemical name | sarpong09 |
| Formula | C22 H24 N2 O2 S |
| Calculated formula | C22 H24 N2 O2 S |
| SMILES | [C@]12(CCC[C@@H]3[C@H]2C[C@@H](CN3)c2c(C1=O)nc(cc2)OC)Sc1ccccc1.[C@@]12(CCC[C@H]3[C@@H]2C[C@H](CN3)c2c(C1=O)nc(cc2)OC)Sc1ccccc1 |
| Title of publication | Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation |
| Authors of publication | Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 11187 - 11194 |
| a | 7.6286 ± 0.0007 Å |
| b | 11.181 ± 0.0012 Å |
| c | 12.0135 ± 0.0013 Å |
| α | 107.145 ± 0.005° |
| β | 95.759 ± 0.005° |
| γ | 105.904 ± 0.004° |
| Cell volume | 923.21 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4104833.cif |
| 204147 | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4104833.cif |
| 178794 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/48. |
4104833.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104833.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104833.cif |
| 29863 | 2011-11-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4104833 via cif-deposit CGI script. |
4104833.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.