Information card for entry 1568722

Structure parameters

• Formula: C70 H45 F28 N13 O4
• Calculated formula: C70 H45 F28 N13 O4
• Title of publication: Colorimetric Determination of Perfluorocarboxylic Acids using Porphyrin Hosts and Mobile Phone Photographs
• Authors of publication: Taylor, Chloe M.; Breadmore, Michael; Kilah, Nathan Laird
• Journal of publication: Sensors & Diagnostics
• Year of publication: 2023
• a: 14.62 ± 0.003 Å
• b: 14.79 ± 0.003 Å
• c: 18.86 ± 0.004 Å
• α: 70.46 ± 0.03°
• β: 74.2 ± 0.03°
• γ: 71.85 ± 0.03°
• Cell volume: 3587.1 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0587
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No