Information card for entry 7115407

Structure parameters

• Formula: C15 H18 B F2 N3
• Calculated formula: C15 H18 B F2 N3
• SMILES: F[B]1(F)[n]2cccc2=C(c2n1ccc2)/C=C/N(CC)CC
• Title of publication: Meso enamine substituted BODIPYs
• Authors of publication: Bhausaheb Dhokale; Thaksen Jadhav; Shaikh M. Mobin; Rajneesh Misra
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9119
• a: 8.3942 ± 0.0003 Å
• b: 12.6829 ± 0.0004 Å
• c: 14.0136 ± 0.0004 Å
• α: 90°
• β: 95.074 ± 0.003°
• γ: 90°
• Cell volume: 1486.08 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No