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Information card for entry 7240062
Preview
| Coordinates | 7240062.cif | 
|---|---|
| Original paper (by DOI) | HTML | 
| External links | PubChem | 
| Formula | C22 H24 N2 O4 | 
|---|---|
| Calculated formula | C22 H24 N2 O4 | 
| Title of publication | Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality | 
| Authors of publication | Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B. | 
| Journal of publication | CrystEngComm | 
| Year of publication | 2020 | 
| a | 22.906 ± 0.005 Å | 
| b | 5.7441 ± 0.0011 Å | 
| c | 15.376 ± 0.003 Å | 
| α | 90° | 
| β | 100.98 ± 0.03° | 
| γ | 90° | 
| Cell volume | 1986.1 ± 0.7 Å3 | 
| Cell temperature | 173 ± 2 K | 
| Ambient diffraction temperature | 173 ± 2 K | 
| Number of distinct elements | 4 | 
| Space group number | 14 | 
| Hermann-Mauguin space group symbol | P 1 21/c 1 | 
| Hall space group symbol | -P 2ybc | 
| Residual factor for all reflections | 0.1345 | 
| Residual factor for significantly intense reflections | 0.0782 | 
| Weighted residual factors for significantly intense reflections | 0.1955 | 
| Weighted residual factors for all reflections included in the refinement | 0.2287 | 
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 | 
| Diffraction radiation wavelength | 0.71073 Å | 
| Diffraction radiation type | MoKα | 
| Has coordinates | Yes | 
| Has disorder | Yes | 
| Has Fobs | No | 
| Revision | Date | Message | Files | 
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. | 7240062.cif | 
| 249106 | 2020-03-06 | cif/ Adding structures of 7240054, 7240055, 7240056, 7240057, 7240058, 7240059, 7240060, 7240061, 7240062, 7240063, 7240064 via cif-deposit CGI script. | 7240062.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.