Information card for entry 4115850

Structure parameters

• Formula: C22 H33 N O Sn
• Calculated formula: C22 H33 N O Sn
• SMILES: [Sn](C(C)c1ccc2ccccc2c1C(=O)N(C(C)C)C(C)C)(C)(C)C
• Title of publication: Stereospecificity and Stereoselectivity in Electrophilic Substitution Reactions of Non-α-Heterosubstituted Organolithiums and Stannanes: A Rotationally Restricted Amide as an Internal Stereochemical Marker
• Authors of publication: Jonathan Clayden; Madeleine Helliwell; Jennifer H. Pink; Neil Westlund
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 12449 - 12457
• a: 7.694 Å
• b: 13.465 Å
• c: 22.077 Å
• α: 90°
• β: 97.1°
• γ: 90°
• Cell volume: 2269.63 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No