Information card for entry 2222394

Structure parameters

• Chemical name: <i>N</i>-Phenyl-4-(8-phenyl-4,5-dihydro-1,2-benzoxazolo[4,5-<i>d</i>]thiazol- 2-yl)piperidine-1-carboxamide
• Formula: C26 H24 N4 O2 S
• Calculated formula: C26 H24 N4 O2 S
• SMILES: c1(ccccc1)c1c2c(CCc3c2nc(C2CCN(CC2)C(=O)Nc2ccccc2)s3)on1
• Title of publication: <i>N</i>-Phenyl-4-(8-phenyl-4,5-dihydro-1,2-benzoxazolo[4,5-<i>d</i>]thiazol-2-yl)piperidine-1-carboxamide
• Authors of publication: Hu, De-Jin; Liu, Ming; Huang, Tong-Hui; Tu, Hai-Yang; Zhang, Ai-dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1593
• a: 22.2844 ± 0.0006 Å
• b: 10.1911 ± 0.0003 Å
• c: 10.2842 ± 0.0003 Å
• α: 90°
• β: 102.282 ± 0.002°
• γ: 90°
• Cell volume: 2282.11 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes