Information card for entry 7124085

Structure parameters

• Formula: C37 H34 B F2 N3 P2
• Calculated formula: C37 H34 B F2 N3 P2
• Title of publication: Redox Switchable Catalysis Utilizing a Fluorescent Dye
• Authors of publication: Thompson, Brena L.; Simons, Casey R.; Heiden, Zachariah M.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.4718 ± 0.0009 Å
• b: 10.6218 ± 0.0006 Å
• c: 22.1687 ± 0.0012 Å
• α: 90°
• β: 100.82 ± 0.0018°
• γ: 90°
• Cell volume: 3115.8 ± 0.3 ų
• Cell temperature: 107 K
• Ambient diffraction temperature: 107.26 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No