Information card for entry 7012017

Structure parameters

• Formula: C33 H33 N O4 P2
• Calculated formula: C33 H33 N O4 P2
• SMILES: P(=O)(Cc1n(=O)c(cc(c1)CC)CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Synthesis and coordination chemistry of arene soluble 4-alkyl-2,6-bis[(diphenylphosphino)methyl]pyridine N,P,P'-trioxide ligands
• Authors of publication: Xin-Min Gan; Robert T. Paine; Eileen N. Duesler; Heinrich Nöth
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 153 - 159
• a: 8.977 ± 0.0012 Å
• b: 15.2491 ± 0.0019 Å
• c: 21.718 ± 0.004 Å
• α: 90°
• β: 95.673 ± 0.011°
• γ: 90°
• Cell volume: 2958.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No