Information card for entry 4321388

Structure parameters

• Formula: C39 H43 N O5 P2
• Calculated formula: C39 H43 N O5 P2
• SMILES: n1(c2[C@@H](P(=O)(c3ccccc3)c3ccccc3)CCCc2cc2c1[C@@H](P(=O)(c1ccccc1)c1ccccc1)CCC2)=O.OC.OC.n1(c2[C@H](P(=O)(c3ccccc3)c3ccccc3)CCCc2cc2c1[C@H](P(=O)(c1ccccc1)c1ccccc1)CCC2)=O.OC.OC
• Title of publication: Synthesis, Characterization, and Coordination Chemistry of a New Geometrically Hindered Trifunctional Ligand, 4,5-Bis(diphenylphosphino)-sym-octahydroacridine N,P,P'-Trioxide
• Authors of publication: Gan, Xin-Min; Parveen, Sahrah; Smith, Wayne L.; Duesler, Eileen N.; Paine, Robert T.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4591 - 4598
• a: 24.351 ± 0.004 Å
• b: 11.543 ± 0.002 Å
• c: 17.211 ± 0.005 Å
• α: 90°
• β: 133.48 ± 0.01°
• γ: 90°
• Cell volume: 3510.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0575
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No