Information card for entry 7122443

Structure parameters

• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N 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: 18.5434 ± 0.0006 Å
• b: 8.2224 ± 0.0003 Å
• c: 18.7134 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2853.26 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No