Information card for entry 4321387

Structure parameters

• Formula: C39 H37 Cl6 N O3 P2
• Calculated formula: C39 H37 Cl6 N O3 P2
• SMILES: P(=O)([C@@H]1c2n(=O)c3c(cc2CCC1)CCC[C@@H]3P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.P(=O)([C@H]1c2n(=O)c3c(cc2CCC1)CCC[C@H]3P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 21.183 ± 0.003 Å
• b: 11.645 ± 0.004 Å
• c: 16.791 ± 0.006 Å
• α: 90°
• β: 104.86 ± 0.02°
• γ: 90°
• Cell volume: 4003 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No