Information card for entry 7061596

Structure parameters

• Formula: C20 H20 N2 O4 S
• Calculated formula: C20 H20 N2 O4 S
• SMILES: S(c1ccc(n2nc3ccccc3c2CC(C(=O)OC)C(=O)OC)cc1)C
• Title of publication: Synthesis of 3C-alkylated active methylene substituted 2H-indazole derivatives via sequential ring opening of donor–acceptor cyclopropanes and reductive cyclization reaction
• Authors of publication: Sahu, Archana Kumari; Biswas, Subhamoy; Bora, Surjya Kumar; Saikia, Anil K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 12456 - 12460
• a: 5.257 ± 0.0008 Å
• b: 13.741 ± 0.002 Å
• c: 13.614 ± 0.002 Å
• α: 90°
• β: 94.765 ± 0.004°
• γ: 90°
• Cell volume: 980 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No