Information card for entry 7101279

Structure parameters

• Formula: C15 H20 I N O2
• Calculated formula: C15 H20 I N O2
• SMILES: [C@H]1(C(C)(C)C)N([C@H](CO1)C)C(=O)c1c(cccc1)I
• Title of publication: A general route to protected quaternary α-amino acids from β-amino alcohols via a stereocontrolled radical approach
• Authors of publication: Wood, Mark E.; Penny, Mark J.; Steere, Jenny S.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 28
• Pages of publication: 2983 - 2985
• a: 12.7729 ± 0.0007 Å
• b: 7.4551 ± 0.0004 Å
• c: 17.0731 ± 0.0008 Å
• α: 90°
• β: 107.236 ± 0.004°
• γ: 90°
• Cell volume: 1552.75 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No