Information card for entry 7151875

Structure parameters

• Common name: 14 December 2010
• Formula: C22 H22 N2 O
• Calculated formula: C22 H22 N2 O
• SMILES: [C@H]1(CC(C[C@H](c2ccccc2)N1O)c1ccccn1)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: 6.2211 ± 0.0003 Å
• b: 14.25 ± 0.0007 Å
• c: 19.7004 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1746.45 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No