Information card for entry 7128516

Structure parameters

• Formula: C18 H15 O P
• Calculated formula: C18 H15 O P
• SMILES: P(c1ccccc1)(c1ccccc1)c1ccc(cc1)O
• Title of publication: Ultrashort Hδ+ ··· Hδ- intermolecular distance in a supramolecular system in the solid state
• Authors of publication: Garcia-Marquez, Alfonso; Frontera, Antonio; Roisnel, Thierry; Gramage-Doria, Rafael
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 26.3794 ± 0.0016 Å
• b: 26.3794 Å
• c: 8.4535 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5882.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No