Information card for entry 1576951

Structure parameters

• Formula: C88 H72 F0.5 N8 O12
• Calculated formula: C88 H60 F12 N8
• Title of publication: Ru(ii)-catalyzed regioselective (3 + 2)-annulation of anilines with allenes to access 2-vinylindoles.
• Authors of publication: Dash, Om Prakash; Singh, Anurag; Shukla, Rahul K.; Volla, Chandra M. R.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 5944 - 5952
• a: 13.181 ± 0.0002 Å
• b: 16.2119 ± 0.0004 Å
• c: 16.3726 ± 0.0006 Å
• α: 94.325 ± 0.002°
• β: 92.658 ± 0.002°
• γ: 90.373 ± 0.002°
• Cell volume: 3484.75 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0855
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No