Information card for entry 7125638

Structure parameters

• Formula: C23 H17 N O2
• Calculated formula: C23 H17 N O2
• Title of publication: A competitive and highly selective 7-, 6- and 5-annulation with 1,3-migration through C-H and N-H - alkyne coupling.
• Authors of publication: Ajarul, Sk; Kayet, Anirban; Pati, Tanmay K.; Maiti, Dilip K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 474 - 477
• a: 9.2441 ± 0.0016 Å
• b: 9.5954 ± 0.0016 Å
• c: 10.6672 ± 0.0018 Å
• α: 73.867 ± 0.004°
• β: 70.65 ± 0.004°
• γ: 78.883 ± 0.004°
• Cell volume: 852.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No