Information card for entry 1555804

Structure parameters

• Formula: C25 H18 N2
• Calculated formula: C25 H18 N2
• Title of publication: Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.
• Authors of publication: Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 5066 - 5069
• a: 10.098 ± 0.0011 Å
• b: 12.6554 ± 0.0014 Å
• c: 15.8728 ± 0.0016 Å
• α: 103.793 ± 0.001°
• β: 91.637 ± 0.001°
• γ: 111.127 ± 0.002°
• Cell volume: 1822.8 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No