Information card for entry 1571308

Structure parameters

• Formula: C32 H26 N2 O3 S
• Calculated formula: C32 H26 N2 O3 S
• Title of publication: Rh(iii)-catalyzed sp³/sp²-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization.
• Authors of publication: Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 6544 - 6551
• a: 13.827 ± 0.0008 Å
• b: 11.0385 ± 0.0005 Å
• c: 16.8969 ± 0.0007 Å
• α: 90°
• β: 92.719 ± 0.004°
• γ: 90°
• Cell volume: 2576.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0734
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No