Information card for entry 7038696

Structure parameters

• Common name: compound 6
• Chemical name: compound 6
• Formula: C51 H66 Al B F2 N4 O4
• Calculated formula: C51 H66 Al B F2 N4 O4
• SMILES: [Al]123([N](=Cc4c(O2)c(cc(c4)C(C)(C)C)C(C)(C)C)CC[N]1=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)Oc1ccc(cc1)C1=c2[n]([B](F)(F)n3c1ccc3)ccc2.O(CC)CC
• Title of publication: Novel aluminum-BODIPY dyads: intriguing dual-emission via photoinduced energy transfer.
• Authors of publication: Sohn, Changho; Jeong, Jisu; Lee, Ji Hye; Choi, Byung Hoon; Hwang, Hyonseok; Bae, Gyun-Tack; Lee, Kang Mun; Park, Myung Hwan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5825 - 5832
• a: 11.6723 ± 0.0016 Å
• b: 13.9091 ± 0.0016 Å
• c: 15.8713 ± 0.0019 Å
• α: 103.271 ± 0.007°
• β: 99.123 ± 0.008°
• γ: 91.663 ± 0.009°
• Cell volume: 2470.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1147
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No