Information card for entry 4026286

Structure parameters

• Common name: 5-syn-hydroxyMetpyr
• Chemical name: N-t-butoxycarbonyl-5-syn-hydroxy-2-azabicyclo[2.1.1]hexane
• Formula: C7 H11 N O2
• Calculated formula: C7 H11 N O2
• Title of publication: Synthesis of Conformationally Constrained 5-Fluoro- and 5-Hydroxymethanopyrrolidines. Ring-Puckered Mimics of Gauche- and Anti-3-Fluoro- and 3-Hydroxypyrrolidines
• Authors of publication: Grant R. Krow; Ram Edupuganti; Deepa Gandla; Fang Yu; Matthew Sender; Philip E. Sonnet; Michael J. Zdilla; Charles DeBrosse; Kevin C. Cannon; Charles W. Ross; Amit Choudhary; Matthew D. Shoulders; Ronald T. Raines
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3626 - 3634
• a: 6.7895 ± 0.0006 Å
• b: 11.8108 ± 0.001 Å
• c: 17.2811 ± 0.0014 Å
• α: 90.006 ± 0.002°
• β: 90.002 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 1385.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No