Information card for entry 7119561

Structure parameters

• Chemical name: 10-(4-(diphenylstibaneyl)phenyl)-1,3,5,5,7,9-hexamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine
• Formula: C33 H34 B N2 Sb
• Calculated formula: C33 H34 B N2 Sb
• SMILES: [Sb](c1ccc(C2=c3c(C)cc(C)[n]3[B](n3c2c(cc3C)C)(C)C)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Anion sensing with a Lewis acidic BODIPY-antimony(v) derivative.
• Authors of publication: Christianson, Anna M.; Gabbaï, François P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 2471 - 2474
• a: 50.4025 ± 0.0018 Å
• b: 11.0109 ± 0.0004 Å
• c: 10.1952 ± 0.0004 Å
• α: 90°
• β: 97.294 ± 0.001°
• γ: 90°
• Cell volume: 5612.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No