Information card for entry 7151874

Structure parameters

• Common name: 1-hydroxy2,4, 6-triiphenylpiperazine
• Chemical name: 1-hydroxy2,4, 6-triiphenylpiperazine
• Formula: C22 H22 N2 O
• Calculated formula: C22 H22 N2 O
• SMILES: [C@H]1(CN(C[C@H](c2ccccc2)N1O)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN
• Authors of publication: Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 4642
• a: 26.535 ± 0.003 Å
• b: 26.535 ± 0.003 Å
• c: 13.671 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8336.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No