Information card for entry 7122442

Structure parameters

• Formula: C14 H14 O3
• Calculated formula: C14 H14 O3
• Title of publication: Nickel-catalyzed, ligand-free, diastereoselective synthesis of 3-methyleneindan-1-ols.
• Authors of publication: Panchal, Heena; Clarke, Christopher; Bell, Charles; Karad, Somnath Narayan; Lewis, William; Lam, Hon Wai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 87
• Pages of publication: 12389 - 12392
• a: 23.9951 ± 0.0005 Å
• b: 14.2011 ± 0.0003 Å
• c: 6.8998 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2351.15 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No