Information card for entry 7154957

Structure parameters

• Chemical name: JF95
• Formula: C23 H25 N O4
• Calculated formula: C23 H25 N O4
• SMILES: N1[C@H]([C@H]2CC=C[C@H]2c2cc(ccc12)OC)[C@@H]1O[C@@H](OC[C@H]1O)c1ccccc1
• Title of publication: Total facial selectivity of a d-erythrosyl aromatic imine in [4π + 2π] cycloadditions; synthesis of 2-alkylpolyol 1,2,3,4-tetrahydroquinolines.
• Authors of publication: Ferreira, Juliana; Duarte, Vera C. M.; Noro, Jennifer; Gil Fortes, António; Alves, Maria J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2930 - 2937
• a: 31.53 ± 0.03 Å
• b: 4.779 ± 0.005 Å
• c: 12.837 ± 0.011 Å
• α: 90°
• β: 100.97 ± 0.04°
• γ: 90°
• Cell volume: 1899 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No