Information card for entry 7707228

Structure parameters

• Chemical name: PH2C(O)NHNH2*0.5(18-crown-6)
• Formula: C7 H17 N2 O4 P
• Calculated formula: C7 H17 N2 O4 P
• Title of publication: Novel primary phosphinecarboxamides derived from diamines.
• Authors of publication: Faria, Erica N.; Jupp, Andrew R.; Goicoechea, Jose M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 6991 - 6996
• a: 13.9885 ± 0.0002 Å
• b: 11.7814 ± 0.0001 Å
• c: 14.7581 ± 0.0002 Å
• α: 90°
• β: 109.502 ± 0.001°
• γ: 90°
• Cell volume: 2292.66 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No