Information card for entry 7153199

Structure parameters

• Formula: C40 H34 F12 N4 O8
• Calculated formula: C40 H34 F12 N4 O8
• Title of publication: Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.
• Authors of publication: de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 48
• Pages of publication: 8395 - 8409
• a: 8.704 ± 0.0003 Å
• b: 10.8569 ± 0.0003 Å
• c: 11.589 ± 0.0004 Å
• α: 100.578 ± 0.003°
• β: 103.072 ± 0.003°
• γ: 96.793 ± 0.003°
• Cell volume: 1033.93 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No