Information card for entry 4038560

Structure parameters

• Formula: C17 H15 N3 O2 S
• Calculated formula: C17 H15 N3 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: 36.176 ± 0.005 Å
• b: 5.6425 ± 0.0008 Å
• c: 15.396 ± 0.002 Å
• α: 90°
• β: 104.478 ± 0.006°
• γ: 90°
• Cell volume: 3042.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1546
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No