Information card for entry 4033735

Structure parameters

• Formula: C10 H10 B0.25 Cl0.25 F0.25 N2 O3
• Calculated formula: C14.5 H8.5 B0.5 Cl F N O1.5
• Title of publication: Synthetic Approach to Readily Accessible Benzofuran-Fused Borondipyrromethenes as Red-Emitting Laser Dyes.
• Authors of publication: Belmonte-Vázquez, José L; Avellanal-Zaballa, Edurne; Enríquez-Palacios, Ernesto; Cerdán, Luis; Esnal, Ixone; Bañuelos, Jorge; Villegas-Gómez, Clarisa; López Arbeloa, Iñigo; Peña-Cabrera, Eduardo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 5
• Pages of publication: 2523 - 2541
• a: 10.1007 ± 0.0004 Å
• b: 11.0329 ± 0.0005 Å
• c: 12.8754 ± 0.0005 Å
• α: 114.896 ± 0.004°
• β: 108.439 ± 0.004°
• γ: 94.763 ± 0.003°
• Cell volume: 1195.08 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.3849
• Weighted residual factors for all reflections included in the refinement: 0.4047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.92
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No