Information card for entry 1545530

Structure parameters

• Chemical name: 10_polym
• Formula: C218 H276 N4 Na2 O6 P6
• Calculated formula: C218 H276 N4 Na2 O6 P6
• SMILES: [Na]1([O]2CCCC2)([O]2CCCC2)[O](C2=PP3(=P2)N(c2c(cc(cc2C(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)C)C(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)CCN3c2c(cc(cc2C(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)C)C(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)[Na]([O]2CCCC2)([O]2CCCC2)[O]1C1=PP2(=P1)N(c1c(cc(cc1C(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)C)C(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)CCN2c1c(cc(cc1C(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)C)C(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
• Authors of publication: Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 3720
• a: 14.6157 ± 0.0011 Å
• b: 18.3339 ± 0.0015 Å
• c: 23.554 ± 0.002 Å
• α: 85.401 ± 0.007°
• β: 81.374 ± 0.006°
• γ: 78.671 ± 0.005°
• Cell volume: 6110.2 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No