Information card for entry 7115409

Structure parameters

• Formula: C17 H22 B F2 N3
• Calculated formula: C17 H22 B F2 N3
• SMILES: [B]1(F)(F)[n]2cccc2=C(c2n1ccc2)/C=C(/N(CC)C(C)C)C
• 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: 11.1777 ± 0.0008 Å
• b: 11.3773 ± 0.0005 Å
• c: 14.4649 ± 0.0009 Å
• α: 90°
• β: 109.83 ± 0.008°
• γ: 90°
• Cell volume: 1730.5 ± 0.2 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: 0.0979
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No