Information card for entry 7240562

Structure parameters

• Formula: C25 H18 N2 O3
• Calculated formula: C25 H18 N2 O3
• SMILES: O=C(/C(=C\1C(=NN(c2ccccc2)C1=O)C)c1ccccc1)C(=O)c1ccccc1
• 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: 9.6663 ± 0.0014 Å
• b: 10.7447 ± 0.0016 Å
• c: 10.7533 ± 0.001 Å
• α: 66.9 ± 0.012°
• β: 85.83 ± 0.01°
• γ: 80.391 ± 0.012°
• Cell volume: 1012.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No