Information card for entry 7123599

Structure parameters

• Formula: C21 H22 O5
• Calculated formula: C21 H22 O5
• 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: 13.8321 ± 0.0007 Å
• b: 8.4887 ± 0.0003 Å
• c: 30.2097 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3547.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No