Information card for entry 4104755

Structure parameters

• Chemical name: 1,3-Dmesityl-2-(3',4'-dimethyl-phospholyl)‒dihydro-1,3,2-diazaphosphole
• Formula: C26 H32 N2 P2
• Calculated formula: C26 H32 N2 P2
• SMILES: p1(n(ccn1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)p1cc(c(c1)C)C
• 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: 8.6178 ± 0.0002 Å
• b: 9.0995 ± 0.0003 Å
• c: 17.0578 ± 0.0006 Å
• α: 84.3 ± 0.002°
• β: 77.191 ± 0.002°
• γ: 68.197 ± 0.002°
• Cell volume: 1210.83 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No