Information card for entry 7123600

Structure parameters

• Formula: C21 H23 Br O4
• Calculated formula: C21 H23 Br 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: 13.7677 ± 0.0008 Å
• b: 10.5053 ± 0.0009 Å
• c: 25.8983 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3745.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No