Information card for entry 7028869

Structure parameters

• Formula: C23 H30 N2 P2
• Calculated formula: C23 H30 N2 P2
• SMILES: c1(nccn1P(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C
• 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: 12.1693 ± 0.0018 Å
• b: 21.844 ± 0.003 Å
• c: 8.3719 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2225.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No