Information card for entry 1554829

Structure parameters

• Formula: C17.14 H14.5 B F2 N3 O2
• Calculated formula: C17 H16 B F2 N3 O2
• Title of publication: A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons
• Authors of publication: Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 2825
• a: 11.1306 ± 0.0003 Å
• b: 11.7622 ± 0.0003 Å
• c: 24.0194 ± 0.0007 Å
• α: 90°
• β: 91.217 ± 0.002°
• γ: 90°
• Cell volume: 3143.92 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0798
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No