Information card for entry 7160647

Structure parameters

• Formula: C27 H34 N2 O2
• Calculated formula: C27 H34 N2 O2
• Title of publication: Regioselective (3 + 2) cycloaddition reactions of zerumbone: synthesis of isoxazolines and spiro-pyrrolizidino-oxindoles, conformational diversity and theoretical insights.
• Authors of publication: Murthi, Nandha Kumar; Nulakani, Naga Venkateswara Rao; Akbar Ali, Mohamad; Kundu, Tanay; Gopinath, Pushparathinam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 7956 - 7961
• a: 10.1096 ± 0.0018 Å
• b: 9.5621 ± 0.0019 Å
• c: 23.618 ± 0.005 Å
• α: 90°
• β: 94.613 ± 0.007°
• γ: 90°
• Cell volume: 2275.7 ± 0.8 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.2735
• Weighted residual factors for all reflections included in the refinement: 0.2979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No