Information card for entry 8105486

Structure parameters

• Formula: C17 H23 N O5
• Calculated formula: C17 H23 N O5
• Title of publication: Crystal structure of tert-butyl (1S,2R,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, C17H23NO5
• Authors of publication: Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Correia, Carlos Roque D.; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1431 - 1433
• a: 6.0479 ± 0.0009 Å
• b: 9.7032 ± 0.001 Å
• c: 14.711 ± 0.002 Å
• α: 90°
• β: 94.174 ± 0.009°
• γ: 90°
• Cell volume: 861 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No