Information card for entry 7123589

Structure parameters

• Formula: C28 H20 N4 O2
• Calculated formula: C28 H20 N4 O2
• Title of publication: Rhodium(III)-catalyzed tunable coupling reaction of indole derivatives with alkylidenecyclopropanes via C−H activation
• Authors of publication: Shi, Min; Liu, Ruixing; Wei, Yin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.8352 ± 0.0004 Å
• b: 11.9524 ± 0.0007 Å
• c: 12.524 ± 0.0007 Å
• α: 86.602 ± 0.002°
• β: 78.708 ± 0.002°
• γ: 75.444 ± 0.002°
• Cell volume: 1113.18 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No