Information card for entry 4038559

Structure parameters

• Formula: C19 H18 N2 O2 S
• Calculated formula: C19 H18 N2 O2 S
• Title of publication: Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.
• Authors of publication: Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 7.6361 ± 0.0015 Å
• b: 8.1452 ± 0.0015 Å
• c: 14.722 ± 0.003 Å
• α: 95.298 ± 0.006°
• β: 90.26 ± 0.007°
• γ: 113.046 ± 0.006°
• Cell volume: 838.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No