Information card for entry 7159753

Structure parameters

• Formula: C32 H23 N O4 S
• Calculated formula: C32 H23 N O4 S
• SMILES: S1c2c(C(=O)c3cc4nc(oc4cc13)c1c3CCc4c(cc(cc4)CCc(c1)cc3)C(=O)OC)cccc2
• Title of publication: The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.
• Authors of publication: Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 47
• Pages of publication: 9330 - 9336
• a: 10.9527 ± 0.0002 Å
• b: 12.7611 ± 0.0003 Å
• c: 17.1116 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2391.66 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No