Information card for entry 4037904

Structure parameters

• Chemical name: dibenzyl (2,5-dioxopiperazine-1,4-diyl)dicarbamate
• Formula: C20 H20 N4 O6
• Calculated formula: C20 H20 N4 O6
• SMILES: c1(ccccc1)COC(=O)NN1C(=O)CN(C(=O)C1)NC(=O)OCc1ccccc1
• Title of publication: Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.
• Authors of publication: Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 20.0913 ± 0.0009 Å
• b: 5.7683 ± 0.0003 Å
• c: 8.6111 ± 0.0003 Å
• α: 90°
• β: 100.739 ± 0.001°
• γ: 90°
• Cell volume: 980.49 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No