Information card for entry 4038243

Structure parameters

• Formula: C13 H11 N3 O3
• Calculated formula: C13 H11 N3 O3
• Title of publication: Regioselective ring expansion of 3-ylideneoxindoles with tosyldiazomethane (TsDAM) : A metal-free and greener approach for the synthesis of pyrazolo-[1,5-c]quinazolines.
• Authors of publication: Ramu, Gopathi; Tangella, Yellaiah; Ambala, Srinivas; Nagendra Babu, Bathini
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 7.2354 ± 0.0019 Å
• b: 10.971 ± 0.003 Å
• c: 15.02 ± 0.005 Å
• α: 90°
• β: 101.83 ± 0.012°
• γ: 90°
• Cell volume: 1167 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0623
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No