Information card for entry 4125926

Structure parameters

• Formula: C42 H42 O6 P2 S2
• Calculated formula: C42 H42 O6 P2 S2
• Title of publication: Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.
• Authors of publication: Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 16
• Pages of publication: 5787 - 5792
• a: 8.3369 ± 0.0008 Å
• b: 15.8467 ± 0.0015 Å
• c: 16.1176 ± 0.0016 Å
• α: 113.598 ± 0.001°
• β: 100.688 ± 0.001°
• γ: 90.889 ± 0.001°
• Cell volume: 1907.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No