Information card for entry 7158645

Structure parameters

• Formula: C26 H18 N2 O3
• Calculated formula: C26 H18 N2 O3
• Title of publication: Copper acetate catalysed C–C bond formation en route to the synthesis of spiro indanedione cyclopropylpyrazolones
• Authors of publication: Penjarla, Thirupathi Reddy; Shukla, Adarash Kumar; Hazra, Rituparna; Roy, Durba; Kundarapu, Maheshwar; Dixit, Mudit; Bhattacharya, Anupam
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.4393 ± 0.0002 Å
• b: 8.5659 ± 0.0001 Å
• c: 14.2744 ± 0.0004 Å
• α: 97.421 ± 0.002°
• β: 95.373 ± 0.002°
• γ: 101.685 ± 0.002°
• Cell volume: 994.4 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No