Information card for entry 7131736

Structure parameters

• Chemical name: tert-butyl 2-((R)-((R)-2-formyl-3-phenyl-1H-inden-1-yl)(phenyl)methyl)acrylate
• Formula: C30 H28 O3
• Calculated formula: C30 H28 O3
• Title of publication: Pentaenolate activation in the organocatalytic allylic alkylation of indene-2-carbaldehydes.
• Authors of publication: Cieśliński, Adam; Frankowski, Sebastian; Albrecht, Łukasz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 49
• Pages of publication: 7655 - 7658
• a: 8.022 ± 0.0001 Å
• b: 8.2914 ± 0.0001 Å
• c: 10.1712 ± 0.0001 Å
• α: 76.898 ± 0.001°
• β: 85.404 ± 0.001°
• γ: 62.195 ± 0.001°
• Cell volume: 582.577 ± 0.013 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No