Information card for entry 7111102

Structure parameters

• Formula: C17 H21 N O3
• Calculated formula: C17 H21 N O3
• SMILES: N1([C@@H]([C@H]2C=C[C@@H](O1)C2)C(=O)OCC)[C@H](C)c1ccccc1
• Title of publication: An unusual oxidative rearrangement of azabicyclo[2.2.1]heptenes, providing a stereoselective route to 2′- and 3′-hydroxycyclopentylglycines
• Authors of publication: Bailey, Patrick D.; Rosair, Georgina M.; Taylor, David; McDonald, I. M.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 2451
• a: 6.073 Å
• b: 13.045 ± 0.001 Å
• c: 10.104 ± 0.001 Å
• α: 90°
• β: 98.28 ± 0.01°
• γ: 90°
• Cell volume: 792.12 ± 0.1 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: 0.0306
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No