Information card for entry 4119416

Structure parameters

• Formula: C28 H34 F3 N3 O5
• Calculated formula: C28 H34 F3 N3 O5
• Title of publication: Interdigitated Hydrogen Bonds: Electrophile Activation for Covalent Capture and Fluorescence Turn-On Detection of Cyanide
• Authors of publication: Junyong Jo; András Olasz; Chun-Hsing Chen; Dongwhan Lee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3620 - 3632
• a: 9.7046 ± 0.0012 Å
• b: 10.8049 ± 0.0013 Å
• c: 14.9013 ± 0.0018 Å
• α: 72.033 ± 0.002°
• β: 72.101 ± 0.002°
• γ: 72.389 ± 0.002°
• Cell volume: 1376.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections: 0.2609
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No