Information card for entry 4028532

Structure parameters

• Formula: C16 H19 Cl2 N2 O3 P
• Calculated formula: C16 H19 Cl2 N2 O3 P
• Title of publication: Synthetic Entry into 1-Phosphono-3-azabicyclo[3.1.0]hexanes
• Authors of publication: Wouter Debrouwer; Thomas S. A. Heugebaert; Kristof Van Hecke; Christian V. Stevens
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 8232 - 8241
• a: 9.6158 ± 0.0004 Å
• b: 11.3767 ± 0.0005 Å
• c: 17.5776 ± 0.0007 Å
• α: 90°
• β: 98.092 ± 0.004°
• γ: 90°
• Cell volume: 1903.77 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No