Information card for entry 4036957

Structure parameters

• Formula: C24 H33 N O4
• Calculated formula: C24 H33 N O4
• SMILES: O(c1cc(c(N2C(=O)[C@@]34OC(CC(=O)[C@@H]3C[C@H]4CCC2)(C)C)cc1)C(C)(C)C)C.O(c1cc(c(N2C(=O)[C@]34OC(CC(=O)[C@H]3C[C@@H]4CCC2)(C)C)cc1)C(C)(C)C)C
• Title of publication: Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.
• Authors of publication: Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 16
• Pages of publication: 7191 - 7200
• a: 20.7554 ± 0.0007 Å
• b: 6.2296 ± 0.0002 Å
• c: 17.0708 ± 0.0006 Å
• α: 90°
• β: 101.719 ± 0.002°
• γ: 90°
• Cell volume: 2161.21 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No