Information card for entry 7159654

Structure parameters

• Formula: C19 H23 N2 O1.5
• Calculated formula: C19 H23 N2 O1.5
• SMILES: O=C1N2[C@H]([C@H]3[C@H](C1)CC[C@@H]3C)c1[nH]c3ccccc3c1CC2.O
• 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: 8.6495 ± 0.0004 Å
• b: 10.1461 ± 0.0005 Å
• c: 10.4409 ± 0.0005 Å
• α: 72.9361 ± 0.0019°
• β: 86.3302 ± 0.0018°
• γ: 65.6886 ± 0.0017°
• Cell volume: 796.57 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No