Information card for entry 7127202

Structure parameters

• Formula: C27 H24 N2 O2 S
• Calculated formula: C27 H24 N2 O2 S
• Title of publication: Cobalt-catalyzed ring-opening addition of azabenzonorbornadienes via C(sp³)-H bond activation of 8-methylquinoline.
• Authors of publication: Tan, Heng; Khan, Ruhima; Xu, Dandan; Zhou, Yongyun; Zhang, Xuexin; Shi, Guangrui; Fan, Baomin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 83
• Pages of publication: 12570 - 12573
• a: 8.1661 ± 0.0002 Å
• b: 25.3026 ± 0.0005 Å
• c: 10.7553 ± 0.0002 Å
• α: 90°
• β: 96.512 ± 0.001°
• γ: 90°
• Cell volume: 2207.96 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No