Information card for entry 7715988

Structure parameters

• Chemical name: [K([18]crown-6)][1,2,3-P3C2tBu2]
• Formula: C22 H42 K O6 P3
• Calculated formula: C22 H42 K O6 P3
• SMILES: [K]12345[O]6CC[O]5CC[O]1CC[O]4CC[O]3CC[O]2CC6.p1c(c(p[p-]1)C(C)(C)C)C(C)(C)C
• Title of publication: Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.
• Authors of publication: Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10113 - 10119
• a: 9.5881 ± 0.0001 Å
• b: 17.1596 ± 0.0001 Å
• c: 17.2604 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2839.82 ± 0.04 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No