Information card for entry 7708012

Structure parameters

• Formula: C26 H27 Au N3 P
• Calculated formula: C26 H27 Au N3 P
• Title of publication: SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions.
• Authors of publication: Shen, Yu-Hsuan; Esper, Alec M.; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.; Ehm, Christian; Veige, Adam S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12681 - 12691
• a: 12.2089 ± 0.0006 Å
• b: 14.1145 ± 0.0007 Å
• c: 13.2833 ± 0.0007 Å
• α: 90°
• β: 94.635 ± 0.002°
• γ: 90°
• Cell volume: 2281.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No