Information card for entry 7247379

Structure parameters

• Formula: C16 H18 O3
• Calculated formula: C16 H18 O3
• Title of publication: Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones
• Authors of publication: Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 2
• Pages of publication: 771 - 784
• a: 7.97 ± 0.0005 Å
• b: 11.1812 ± 0.0006 Å
• c: 7.9888 ± 0.0004 Å
• α: 90°
• β: 110.788 ± 0.007°
• γ: 90°
• Cell volume: 665.57 ± 0.07 ų
• Cell temperature: 299 ± 0.2 K
• Ambient diffraction temperature: 299 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No