Information card for entry 7064071

Structure parameters

• Formula: C21 H21 B2 F4 N5 O
• Calculated formula: C21 H21 B2 F4 N5 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: 9.2694 ± 0.0007 Å
• b: 32.322 ± 0.002 Å
• c: 7.3866 ± 0.0004 Å
• α: 90°
• β: 112.807 ± 0.002°
• γ: 90°
• Cell volume: 2040 ± 0.2 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: 0.1457
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No