Information card for entry 1519550

Structure parameters

• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• SMILES: C1(=O)[C@@H](Cc2ccccc2)N(C(=O)[C@@H](Cc2ccccc2)N1C)C.C1(=O)[C@H](Cc2ccccc2)N(C(=O)[C@H](Cc2ccccc2)N1C)C
• Title of publication: 3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione
• Authors of publication: Croft, Anna K.; Foley, Mark K.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 877
• a: 15.2187 ± 0.0013 Å
• b: 14.3684 ± 0.001 Å
• c: 7.688 ± 0.0006 Å
• α: 90°
• β: 100.254 ± 0.004°
• γ: 90°
• Cell volume: 1654.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1231
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No