Information card for entry 7122653

Structure parameters

• Chemical name: JF-422
• Formula: C16 H22 N O6 P W
• Calculated formula: C16 H22 N O6 P W
• Title of publication: Unconventional ionic ring-deconstruction pathways of a three-membered heterocycle.
• Authors of publication: Fassbender, Jan; Schnakenburg, Gregor; Gates, Derek P.; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 99
• Pages of publication: 14013 - 14016
• a: 9.6668 ± 0.0004 Å
• b: 16.0328 ± 0.0006 Å
• c: 12.9821 ± 0.0005 Å
• α: 90°
• β: 96.27 ± 0.001°
• γ: 90°
• Cell volume: 2000.01 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0138
• Residual factor for significantly intense reflections: 0.0125
• Weighted residual factors for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No