Information card for entry 7157004

Structure parameters

• Formula: C25 H28 N2 S
• Calculated formula: C25 H28 N2 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: 8.73671 ± 0.00017 Å
• b: 8.73671 ± 0.00017 Å
• c: 56.4484 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4308.71 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No