Information card for entry 7157346

Structure parameters

• Formula: C10.5 H10.5 N10.5 O10.5
• Calculated formula: C29 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: 9.842 ± 0.004 Å
• b: 9.949 ± 0.004 Å
• c: 11.468 ± 0.005 Å
• α: 100.231 ± 0.006°
• β: 105.032 ± 0.006°
• γ: 95.125 ± 0.004°
• Cell volume: 1056.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.658
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No