Information card for entry 1572544

Structure parameters

• Formula: C28 H26 N2 O2 S
• Calculated formula: C28 H26 N2 O2 S
• Title of publication: A Metal-free Route to Substituted Imidazolidines via Ring-Opening Cyclization (ROC) of Activated Aziridines with N-Benzylanilines: DA-COP Catalyzed Photo-Oxidative C-H activation
• Authors of publication: Kumar, Manish; Singh, Bharat; Singh, Sugandha; Verma, Indresh; Kar, Kamal K.; Ghorai, Manas K.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• a: 18.3937 ± 0.0009 Å
• b: 9.9807 ± 0.0005 Å
• c: 26.3497 ± 0.0013 Å
• α: 90°
• β: 104.753 ± 0.002°
• γ: 90°
• Cell volume: 4677.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No