Information card for entry 7157002

Structure parameters

• Formula: C28 H37 N3 O2 S
• Calculated formula: C28 H37 N3 O2 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: 11.09166 ± 0.00008 Å
• b: 13.89141 ± 0.00009 Å
• c: 34.8221 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5365.35 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No