Information card for entry 8104738

Structure parameters

• Chemical name: Acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline
• Formula: C23 H18 N2 O S
• Calculated formula: C23 H18 N2 O S
• Title of publication: Synthesis and crystal structure of the novel chiral acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline, C23H18N2OS
• Authors of publication: Usman, Rabia; Khan, Arshad; Refat, Moamen S.; He, Nongyue
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 867 - 869
• a: 10.414 ± 0.002 Å
• b: 10.589 ± 0.002 Å
• c: 16.872 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1860.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0988
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No