Information card for entry 7129906

Structure parameters

• Formula: C12 H9 N O3
• Calculated formula: C12 H9 N O3
• Title of publication: Quaternary Carbon Construction through Piancatelli Rearrangement: Easy Access to Spirocyclopentenones
• Authors of publication: Solanke, Pooja R.; Cinsani, Radhika; Nayani, Kiranmai; Mainkar, Prathama S.; Chandrasekhar, Srivari
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.0423 ± 0.0014 Å
• b: 8.8382 ± 0.0013 Å
• c: 17.048 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1061.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No