Information card for entry 1507329

Structure parameters

• Formula: C33 H44 N2 O6
• Calculated formula: C33 H44 N2 O6
• SMILES: N([C@@H]1C[C@H]1C[C@@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: Stereocontrolled synthesis of 3-(trans-2-aminocyclopropyl)alanine, a key component of belactosin A.
• Authors of publication: Armstrong, Alan; Scutt, James N.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 13
• Pages of publication: 2331 - 2334
• a: 11.8756 ± 0.0011 Å
• b: 7.0112 ± 0.0005 Å
• c: 20.7657 ± 0.001 Å
• α: 90°
• β: 104.975 ± 0.005°
• γ: 90°
• Cell volume: 1670.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No