Information card for entry 7706861

Structure parameters

• Common name: chloro(9-phosphotriptycene)gold(I)
• Chemical name: chloro(9-phosphotriptycene)gold(I)
• Formula: C19 H13 Au Cl P
• Calculated formula: C19 H13 Au Cl P
• SMILES: [Au](Cl)[P]12c3ccccc3C(c3ccccc13)c1c2cccc1
• Title of publication: Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.
• Authors of publication: Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4772 - 4777
• a: 8.26532 ± 0.00009 Å
• b: 14.28693 ± 0.00014 Å
• c: 14.00053 ± 0.00014 Å
• α: 90°
• β: 91.8231 ± 0.0009°
• γ: 90°
• Cell volume: 1652.43 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No