Information card for entry 4515634

Structure parameters

• Formula: C23 H16 O2
• Calculated formula: C23 H16 O2
• SMILES: O=C1C(=C\c2cc(ccc2)C)/C(=O)c2c(c3c1cccc3)cccc2
• Title of publication: Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes
• Authors of publication: Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2748
• a: 15.5099 ± 0.0015 Å
• b: 7.5217 ± 0.0008 Å
• c: 28.568 ± 0.003 Å
• α: 90°
• β: 99.09 ± 0.008°
• γ: 90°
• Cell volume: 3290.9 ± 0.6 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No