Information card for entry 7708014

Structure parameters

• Formula: C26 H31 N5 O3 W
• Calculated formula: C26 H31 N5 O3 W
• 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: 13.915 ± 0.003 Å
• b: 11.0476 ± 0.0018 Å
• c: 16.41 ± 0.004 Å
• α: 90°
• β: 96.897 ± 0.006°
• γ: 90°
• Cell volume: 2504.4 ± 0.9 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: 0.035
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No