Information card for entry 7123141

Structure parameters

• Chemical name: dibenzo[b,e]phosphindolizine-P-sulfide
• Formula: C16 H11 P S
• Calculated formula: C16 H11 P S
• Title of publication: Dibenzo[b,e]phosphindolizines Synthesized by Ring-Closing Metathesis of Benzo[b]phospholes with Two Vinyl Tethers
• Authors of publication: Tsurusaki, Akihiro; Matsumoto, Hiroyo; Kamikawa, Ken
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.099 ± 0.002 Å
• b: 12.75 ± 0.004 Å
• c: 27.638 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2501.6 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No