Information card for entry 7132035

Structure parameters

• Formula: C21 H17 Cl N3 O
• Calculated formula: C21 H17 Cl N3 O
• Title of publication: Weakly Coordinating tert-Amide Assisted Rh(III)-Catalyzed C4-Cyanation of Indoles: Application in Photophysical Studies
• Authors of publication: Sarkar, Souradip; Biswas, Aniruddha; Das, Sarbojit; Sanyal, Bortika; Sahoo, Rajkumar; Samanta, Rajarshi
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 8.059 ± 0.009 Å
• b: 8.883 ± 0.01 Å
• c: 12.824 ± 0.018 Å
• α: 99.8 ± 0.04°
• β: 90.05 ± 0.05°
• γ: 94.96 ± 0.03°
• Cell volume: 901.1 ± 1.9 ų
• Cell temperature: 274 ± 2 K
• Ambient diffraction temperature: 274 ± 2 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: 0.0653
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No