Information card for entry 7058896

Structure parameters

• Formula: C20 H23 Cl O
• Calculated formula: C20 H23 Cl O
• Title of publication: Molecular modeling on cytotoxic activity of a new terpenoid-like bischalcone
• Authors of publication: Sallum, Lóide; Siqueira, Vera; Custodio, Jean; Borges, Nádia; Lima, Aliny Pereira de; Abreu, Davi; Silveira-Lacerda, Elisângela de Paula; Lima, Rosa; Martins-Oliveira, Alisson; Camargo, Ademir Joao; Napolitano, Hamilton
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 11.4168 ± 0.0013 Å
• b: 14.2639 ± 0.0018 Å
• c: 11.1744 ± 0.0014 Å
• α: 90°
• β: 106.469 ± 0.003°
• γ: 90°
• Cell volume: 1745.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No