Information card for entry 7131284

Structure parameters

• Formula: C14 H20 O
• Calculated formula: C14 H20 O
• SMILES: OC1(CCCC1)CCc1ccc(C)cc1
• Title of publication: Electrochemical synthesis of 2-alkyl-4-phenylalkan-2-ols <i>via</i> cathodic reductive coupling of alkynes with unactivated aliphatic ketones.
• Authors of publication: Dapkekar, Anil Balajirao; Satyanarayana, Gedu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 20
• Pages of publication: 2915 - 2918
• a: 19.065 ± 0.002 Å
• b: 19.065 ± 0.002 Å
• c: 13.9 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5052.3 ± 1.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No