Information card for entry 7159750

Structure parameters

• Formula: C25 H25 N
• Calculated formula: C25 H25 N
• SMILES: N(=C\c1c2ccc(c1)CCc1ccc(CC2)cc1)/[C@H](C)c1ccccc1
• 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: 7.7704 ± 0.0004 Å
• b: 11.2784 ± 0.0005 Å
• c: 11.4173 ± 0.0008 Å
• α: 90°
• β: 107.296 ± 0.007°
• γ: 90°
• Cell volume: 955.34 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No