Information card for entry 7157007

Structure parameters

• Formula: C35 H38 N4 S2
• Calculated formula: C35 H38 N4 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: 9.0135 ± 0.0002 Å
• b: 9.2173 ± 0.0002 Å
• c: 10.0939 ± 0.0002 Å
• α: 100.231 ± 0.002°
• β: 94.54 ± 0.002°
• γ: 112.553 ± 0.002°
• Cell volume: 752.08 ± 0.03 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No