Information card for entry 7151266

Structure parameters

• Formula: C23 H29 O4 P
• Calculated formula: C23 H29 O4 P
• SMILES: P(=O)(O[C@@H]([C@H]1[C@H](C(=O)OC(C)(C)C)C1)CC)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure.
• Authors of publication: Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 3113 - 3116
• a: 5.8939 ± 0.0002 Å
• b: 8.5144 ± 0.0003 Å
• c: 11.3355 ± 0.0004 Å
• α: 82.108 ± 0.002°
• β: 87.448 ± 0.002°
• γ: 82.337 ± 0.002°
• Cell volume: 558.23 ± 0.03 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No