Information card for entry 4104754

Structure parameters

• Chemical name: 1,3-Dimesityl-2-(2',3',4',5'-tetraethylphospholyl)- 4,5-dimethyl-dihydro-1,3,2-diazaphosphole
• Formula: C34 H48 N2 P2
• Calculated formula: C34 H48 N2 P2
• SMILES: P1(N(C(=C(N1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)P1C(=C(C(=C1CC)CC)CC)CC
• Title of publication: Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures
• Authors of publication: Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10763 - 10774
• a: 9.219 ± 0.0002 Å
• b: 20.3427 ± 0.0005 Å
• c: 34.1942 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6412.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No