Information card for entry 1572876

Structure parameters

• Formula: C15 H10 F3 N O3
• Calculated formula: C15 H10 F3 N O3
• SMILES: C(=O)(Nc1cc(C(F)(F)F)ccc1)c1ccc2OCOc2c1
• Title of publication: Characterization and Investigation of Novel Benzodioxol Derivatives as Antidiabetic Agents: An In Vitro and In Vivo Study in an Animal Model
• Authors of publication: Hawash, Mohammed; Al-Smadi, Derar; Kumar, Anil; Olech, Barbara; Dominiak, Paulina Maria; Jaradat, Nidal; Antari, Sarah; Mohammed, Sarah; Nasasrh, Alaa; Abualhasan, Murad; Musa, Ahmed; Suboh, Shorooq; Çapan, İrfan; Qneibi, Mohammad; Natsheh, Hiba
• Journal of publication: Biomolecules
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 1486
• a: 7.1 ± 0.0001 Å
• b: 6.8 ± 0.0001 Å
• c: 24.3 ± 0.001 Å
• α: 90°
• β: 91.9°
• γ: 90 ± 0.001°
• Cell volume: 1172.56 ± 0.05 ų
• Cell temperature: 81.15 K
• Ambient diffraction temperature: 81.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2691
• Weighted residual factors for all reflections included in the refinement: 0.2939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9891
• Diffraction radiation wavelength: 0.02508 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No