Information card for entry 7028868

Structure parameters

• Formula: C23 H30 N2 P2
• Calculated formula: C23 H30 N2 P2
• SMILES: c1(n(ccn1)P(C(C)(C)C)C(C)(C)C)P(c1ccccc1)c1ccccc1
• Title of publication: Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.
• Authors of publication: Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 1957 - 1960
• a: 17.4036 ± 0.0007 Å
• b: 9.2806 ± 0.0003 Å
• c: 16.0476 ± 0.0006 Å
• α: 90°
• β: 121.179 ± 0.001°
• γ: 90°
• Cell volume: 2217.55 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No