Information card for entry 8107359

Structure parameters

• Formula: C27 H26 P2 S2
• Calculated formula: C27 H26 P2 S2
• Title of publication: Crystal structure of propane-1,3-diylbis(diphenylphosphine sulfide) ethanol solvate, C27H26P2S2
• Authors of publication: Tapala, Kgaugelo C.; Clayton, Hadley S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 83 - 85
• a: 16.9196 ± 0.0012 Å
• b: 16.9196 ± 0.0012 Å
• c: 9.4187 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2696.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No