Information card for entry 1569557

Structure parameters

• Formula: C19 H30 O S
• Calculated formula: C19 H30 O S
• SMILES: S(c1ccc(cc1)C(=O)C)CCCCCCCCCCC
• Title of publication: A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.
• Authors of publication: Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 32
• Pages of publication: 8624 - 8634
• a: 44.2057 ± 0.0009 Å
• b: 7.381 ± 0.0001 Å
• c: 5.6064 ± 0.0001 Å
• α: 90°
• β: 92.306 ± 0.002°
• γ: 90°
• Cell volume: 1827.79 ± 0.06 ų
• Cell temperature: 298.5 ± 0.7 K
• Ambient diffraction temperature: 298.5 ± 0.7 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No