Information card for entry 7035439

Structure parameters

• Formula: C36 H38 N6 O2 P2
• Calculated formula: C36 H38 N6 O2 P2
• SMILES: P(=O)(c1nnn(c1c1n(nnc1P(=O)(c1ccccc1)c1ccccc1)CC(C)C)CC(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Double [3 + 2]-dimerisation cascade synthesis of bis(triazolyl)bisphosphanes, a new scaffold for bidentate bisphosphanes.
• Authors of publication: Laborde, Coralie; Wei, Muh-Mei; van der Lee, Arie; Deydier, Eric; Daran, Jean-Claude; Volle, Jean-Noël; Poli, Rinaldo; Pirat, Jean-Luc; Manoury, Eric; Virieux, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12539 - 12545
• a: 23.4908 ± 0.0005 Å
• b: 11.0856 ± 0.0002 Å
• c: 25.9333 ± 0.0005 Å
• α: 90°
• β: 90.8818 ± 0.0018°
• γ: 90°
• Cell volume: 6752.5 ± 0.2 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No