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Information card for entry 7235318
Preview
| Coordinates | 7235318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H36 N2 O12 S3 |
|---|---|
| Calculated formula | C29 H36 N2 O12 S3 |
| Title of publication | Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies |
| Authors of publication | Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A. |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 16 |
| Pages of publication | 8125 |
| a | 6.8789 ± 0.0006 Å |
| b | 8.1405 ± 0.0007 Å |
| c | 14.5005 ± 0.0013 Å |
| α | 92.437 ± 0.005° |
| β | 98.844 ± 0.005° |
| γ | 99.96 ± 0.005° |
| Cell volume | 788.25 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.1964 |
| Weighted residual factors for all reflections included in the refinement | 0.2113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235318.cif |
| 232684 | 2019-11-23 | cif/ Adding structures of 7235311, 7235312, 7235313, 7235314, 7235315, 7235316, 7235317, 7235318, 7235319, 7235320, 7235321, 7235322 via cif-deposit CGI script. |
7235318.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.