Information card for entry 1569559

Structure parameters

• Formula: C24 H26 O3
• Calculated formula: C24 H26 O3
• SMILES: O(c1cc2c(cc1)cc(cc2)C(C(=O)Oc1ccc(cc1)C(C)(C)C)C)C
• 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: 11.1315 ± 0.0004 Å
• b: 16.475 ± 0.0006 Å
• c: 10.7131 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1964.69 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No