Information card for entry 4035516

Structure parameters

• Chemical name: (2R,3R)-3-(4-Chlorophenyl)-5-oxo-2-phenyl-3,5-dihydro-2H-cyclopenta[a]naphthalene-1-carbaldehyde
• Formula: C26 H17 Cl O2
• Calculated formula: C26 H17 Cl O2
• Title of publication: The Application of 2-Benzyl-1,4-naphthoquinones as Pronucleophiles in Aminocatalytic Synthesis of Tricyclic Derivatives.
• Authors of publication: Skrzyńska, Anna; Romaniszyn, Marta; Pomikło, Dominika; Albrecht, Łukasz
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 9
• Pages of publication: 5019 - 5026
• a: 6.9058 ± 0.0007 Å
• b: 18.5704 ± 0.0012 Å
• c: 31.694 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4064.5 ± 0.7 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1321
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No