Information card for entry 8105735

Structure parameters

• Formula: C25 H23 Cl N0 O2
• Calculated formula: C25 H23 Cl O2
• Title of publication: The crystal structure of 3-(4-chlorophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23ClO2
• Authors of publication: Zheng, Jun; Liu, Sen; Zhang, Yaru; Huang, Xianqiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 505 - 507
• a: 5.5648 ± 0.0005 Å
• b: 17.6062 ± 0.0015 Å
• c: 21.5033 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2106.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1249
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No