Information card for entry 7132025

Structure parameters

• Formula: C56 H47 B F15 N2 O P Sn
• Calculated formula: C56 H47 B F15 N2 O P Sn
• SMILES: [Sn]12OC(/C(=C/[B](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)c3ccccc3)=P\C(C(=[N]2c2c(C(C)C)cccc2C(C)C)C)C(=[N]1c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam
• Authors of publication: Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 11.4575 ± 0.0003 Å
• b: 15.5646 ± 0.0004 Å
• c: 16.0433 ± 0.0005 Å
• α: 84.28 ± 0.002°
• β: 75.467 ± 0.002°
• γ: 86.676 ± 0.001°
• Cell volume: 2754.08 ± 0.14 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No