Information card for entry 1569335

Structure parameters

• Formula: C25 H22 O4
• Calculated formula: C25 H22 O4
• Title of publication: A Pd-catalyzed highly selective three-component protocol for trisubstituted allenes.
• Authors of publication: Li, Can; Zhou, Zhengnan; Ma, Shengming
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 28
• Pages of publication: 7709 - 7715
• a: 8.2186 ± 0.0009 Å
• b: 10.7453 ± 0.0013 Å
• c: 12.237 ± 0.0014 Å
• α: 115.168 ± 0.003°
• β: 93.669 ± 0.004°
• γ: 93.606 ± 0.004°
• Cell volume: 971.2 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No