Information card for entry 7048751

Structure parameters

• Formula: C68 H84 N4
• Calculated formula: C68 H84 N4
• Title of publication: Facile Buchwald-Hartwig coupling of sterically encumbered substrates effected by PNP ligands.
• Authors of publication: Kathewad, Neha; M C, Anagha; Parvin, Nasrina; Parambath, Sneha; Parameswaran, Pattiyil; Khan, Shabana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2730 - 2734
• a: 13.119 ± 0.003 Å
• b: 8.223 ± 0.002 Å
• c: 13.364 ± 0.003 Å
• α: 90 ± 0.03°
• β: 103.93 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1399.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.604
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No