Information card for entry 7123601

Structure parameters

• Formula: C21 H24 O4
• Calculated formula: C21 H24 O4
• Title of publication: Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.
• Authors of publication: Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.
• Journal of publication: MedChemComm
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1445 - 1456
• a: 7.08 ± 0.0002 Å
• b: 8.7733 ± 0.0003 Å
• c: 28.3213 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.18 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No