Information card for entry 7245305

Structure parameters

• Chemical name: NM-730
• Formula: C26 H17 Cl Se
• Calculated formula: C26 H17 Cl Se
• Title of publication: Recyclable iodine-catalyzed radical selenylative annulation of 2-alkynyl biaryls with diselenides in water: a green approach to selanyl polycyclic aromatic hydrocarbons and polycyclic heteroaromatics
• Authors of publication: Mukherjee, Nilanjana; Satyanarayana, Appanapalli N. V.; Singh, Priti; Dixit, Mudit; Chatterjee, Tanmay
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 7029 - 7038
• a: 15.3921 ± 0.0002 Å
• b: 10.1833 ± 0.0001 Å
• c: 13.1358 ± 0.0002 Å
• α: 90°
• β: 107.775 ± 0.001°
• γ: 90°
• Cell volume: 1960.65 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No