Information card for entry 4023256

Structure parameters

• Formula: C33.5 H40.5 N3.5 O3.5
• Calculated formula: C33.5 H40.5 N3.5 O3.5
• Title of publication: Stereoselective Synthesis of Quaternary Center Bearing Azetines and Their β-Amino Acid Derivatives
• Authors of publication: Christopher J. MacNevin; Rhonda L. Moore; Dennis C. Liotta
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1264 - 1269
• a: 11.501 ± 0.0004 Å
• b: 21.4606 ± 0.0009 Å
• c: 12.8318 ± 0.0005 Å
• α: 90°
• β: 102.648 ± 0.002°
• γ: 90°
• Cell volume: 3090.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No