Information card for entry 7151873

Structure parameters

• Common name: 4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline
• Chemical name: 4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline
• Formula: C21 H24 Cl N O
• Calculated formula: C21 H24 Cl N O
• SMILES: Clc1ccc([C@H]2C[C@H](N(O)[C@H]3CCCC[C@@H]23)c2ccccc2)cc1
• 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: 19.532 ± 0.003 Å
• b: 5.3933 ± 0.0007 Å
• c: 16.414 ± 0.002 Å
• α: 90°
• β: 90.279 ± 0.012°
• γ: 90°
• Cell volume: 1729.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No