Information card for entry 4027693

Structure parameters

• Formula: C16 H29 B Cl2 F4 N2 O2
• Calculated formula: C16 H29 B Cl2 F4 N2 O2
• Title of publication: Synthesis of cis-Octahydroindoles via Intramolecular 1,3-Dipolar Cycloaddition of 2-Acyl-5-aminooxazolium Salts
• Authors of publication: Corey H. Basch; Jameson A. Brinck; Joaquin E. Ramos; Stephen A. Habay; Glenn P.A. Yap
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 10416 - 10421
• a: 8.654 ± 0.002 Å
• b: 9.693 ± 0.002 Å
• c: 12.619 ± 0.003 Å
• α: 78.489 ± 0.004°
• β: 87.071 ± 0.004°
• γ: 82.042 ± 0.004°
• Cell volume: 1026.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No