Information card for entry 4026392

Structure parameters

• Formula: C22 H31 Br F3 N O2 Si
• Calculated formula: C22 H31 Br F3 N O2 Si
• Title of publication: Synthesis of the Stenine Ring System from Pyrrole
• Authors of publication: Roderick W. Bates; S. Sridhar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 5026 - 5035
• a: 9.8714 ± 0.0005 Å
• b: 10.7521 ± 0.0005 Å
• c: 22.9002 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2430.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No