Information card for entry 7064070

Structure parameters

• Formula: C14 H15 B F2 N4 O
• Calculated formula: C14 H15 B F2 N4 O
• Title of publication: Unexpected formation of α-formylated BOPHY in the reaction with copper salts
• Authors of publication: Prasannan, Dijo; Nemykin, Victor N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 19649 - 19655
• a: 7.5311 ± 0.0004 Å
• b: 20.679 ± 0.0012 Å
• c: 9.2357 ± 0.0004 Å
• α: 90°
• β: 99.939 ± 0.002°
• γ: 90°
• Cell volume: 1416.74 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0676
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No