Information card for entry 7240561

Structure parameters

• Formula: C25 H22 N2 O3
• Calculated formula: C25 H22 N2 O3
• Title of publication: Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds
• Authors of publication: Bakthadoss, Manickam; Surendar, Manickam
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 32
• Pages of publication: 19003 - 19007
• a: 11.2883 ± 0.0004 Å
• b: 9.8313 ± 0.0004 Å
• c: 18.7276 ± 0.0007 Å
• α: 90°
• β: 101.498 ± 0.004°
• γ: 90°
• Cell volume: 2036.65 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No