Information card for entry 7115410

Structure parameters

• Formula: C16 H18 B F2 N3
• Calculated formula: C16 H18 B F2 N3
• SMILES: [B]1(F)(F)[n]2cccc2=C(c2n1ccc2)/C=C/N1CCCCC1
• 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: 7.8218 ± 0.0004 Å
• b: 23.1144 ± 0.0009 Å
• c: 8.5337 ± 0.0004 Å
• α: 90°
• β: 110.867 ± 0.006°
• γ: 90°
• Cell volume: 1441.66 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No