Information card for entry 7151438

Structure parameters

• Formula: C27 H20 N2 O4
• Calculated formula: C27 H32 N2 O4
• Title of publication: Asymmetric synthesis of substituted 1-aminocyclopropane-1-carboxylic acids via diketopiperazine methodology
• Authors of publication: Elena Buñuel; Steven D. Bull; Stephen G. Davies; A. Christopher Garner; Edward D. Savory; Andrew D. Smith; Richard J. Vickers; David J. Watkin
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 14
• Pages of publication: 2531 - 2542
• a: 9.2515 ± 0.0001 Å
• b: 28.6084 ± 0.0004 Å
• c: 9.4481 ± 0.0001 Å
• α: 90°
• β: 99.928 ± 0.0006°
• γ: 90°
• Cell volume: 2463.19 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0657
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections: 0.1407
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No