Information card for entry 7250427

Structure parameters

• Formula: C19.92 H11.83 Cl1.83 F N5 O3
• Calculated formula: C19.917 H11.834 Cl1.834 F N5 O3
• Title of publication: Enantioselective synthesis of spiro[indoline-3,1′-pyrazolo[1,2-b]phthalazine] derivatives via an organocatalytic three-component cascade reaction
• Authors of publication: Song, Luying; Sun, Yuhong; An, Renbo; Wang, Liming; Jin, Ying
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 17031 - 17035
• a: 16.7979 ± 0.0006 Å
• b: 22.4214 ± 0.0009 Å
• c: 35.2924 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13292.3 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0725
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No