Information card for entry 4111225

Structure parameters

• Formula: C19 H41 I P2
• Calculated formula: C19 H41 I P2
• SMILES: [C@@H]1(C(C)(C)C)[P+]([C@H](C(C)(C)C)P1C(C)(C)C)(C(C)(C)C)C.[I-]
• Title of publication: Diphosphiranium (P2C) or Diphosphetanium (P2C2) Cyclic Cations: Different Fates for the Electrophile-Initiated Cyclodimerization of a Phosphaalkene
• Authors of publication: Joshua I. Bates; Derek P. Gates
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15998 - 15999
• a: 19.6306 ± 0.0007 Å
• b: 9.7464 ± 0.0003 Å
• c: 23.6322 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4521.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No