Information card for entry 7157009

Structure parameters

• Formula: C26 H30 N3 O0.5 S
• Calculated formula: C26 H29.84 N3 O0.4925 S
• Title of publication: Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.
• Authors of publication: Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 33
• Pages of publication: 7782 - 7793
• a: 14.3834 ± 0.0002 Å
• b: 10.6941 ± 0.0001 Å
• c: 29.8026 ± 0.0006 Å
• α: 90°
• β: 98.643 ± 0.002°
• γ: 90°
• Cell volume: 4532.1 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No