Information card for entry 7231352

Structure parameters

• Formula: C57 H37 B F2 N2 O2
• Calculated formula: C57 H37 B F2 N2 O2
• Title of publication: Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications
• Authors of publication: Yousaf, Muhammad; Zarate, Ximena; Schott, Eduardo; Lough, Alan J.; Koivisto, Bryan D.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 50
• Pages of publication: 28533
• a: 10.832 ± 0.0005 Å
• b: 13.6752 ± 0.0005 Å
• c: 18.0475 ± 0.0007 Å
• α: 77.65 ± 0.002°
• β: 74.953 ± 0.002°
• γ: 73.617 ± 0.002°
• Cell volume: 2448.18 ± 0.18 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No