Information card for entry 7157010

Structure parameters

• Formula: C35 H38.32 N4 O0.16 S2
• Calculated formula: C35 H38.324 N4 O0.162 S2
• 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: 8.81055 ± 0.0001 Å
• b: 20.08758 ± 0.00017 Å
• c: 9.52368 ± 0.00011 Å
• α: 90°
• β: 112.355 ± 0.0013°
• γ: 90°
• Cell volume: 1558.85 ± 0.03 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No