Information card for entry 7159764

Structure parameters

• Chemical name: C34H28BrN3O2
• Formula: C34 H28 Br N3 O2
• Calculated formula: C34 H28 Br N3 O2
• Title of publication: Picolinamide-assisted ortho-C–H functionalization of pyrenylglycine derivatives using aryl iodides
• Authors of publication: Dalal, Arup; Bodak, Subhankar; Babu, Srinivasarao Arulananda
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1279 - 1298
• a: 9.6137 ± 0.0019 Å
• b: 18.354 ± 0.003 Å
• c: 18.491 ± 0.003 Å
• α: 61.325 ± 0.017°
• β: 89.722 ± 0.015°
• γ: 89.85 ± 0.015°
• Cell volume: 2862.5 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1263
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No