Information card for entry 7127930

Structure parameters

• Formula: C20 H23 N4
• Calculated formula: C20 H22 N4
• Title of publication: Di-<i>tert</i>-butyldiphosphatetrahedrane as a building block for phosphaalkenes and phosphirenes.
• Authors of publication: Hierlmeier, Gabriele; Uttendorfer, Maria K.; Wolf, Robert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 19
• Pages of publication: 2356 - 2359
• a: 8.0986 ± 0.0003 Å
• b: 9.9827 ± 0.0004 Å
• c: 11.1882 ± 0.0004 Å
• α: 87.935 ± 0.003°
• β: 77.417 ± 0.004°
• γ: 73.219 ± 0.003°
• Cell volume: 844.85 ± 0.06 ų
• Cell temperature: 151 ± 40 K
• Ambient diffraction temperature: 151 ± 40 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No