Information card for entry 8107054

Structure parameters

• Formula: C26 H19 N3 O S
• Calculated formula: C26 H19 N3 O S
• Title of publication: Crystal structure of 2-(3-(benzofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-phenylthiazole, C26H19N3OS
• Authors of publication: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Ajarim, Mansour D.; Alobaid, Abdulrahman M.; Ghabbour, Hazem A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 935 - 936
• a: 13.0921 ± 0.0019 Å
• b: 5.674 ± 0.0008 Å
• c: 14.417 ± 0.002 Å
• α: 90°
• β: 106.217 ± 0.005°
• γ: 90°
• Cell volume: 1028.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No