Information card for entry 7157345

Structure parameters

• Formula: C21 H23 N O
• Calculated formula: C21 H23 N O
• Title of publication: I₂/TBHP mediated diastereoselective synthesis of spiroaziridines.
• Authors of publication: Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1588 - 1593
• a: 20.236 ± 0.012 Å
• b: 5.793 ± 0.003 Å
• c: 14.906 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1747.4 ± 1.7 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No