Information card for entry 7119562

Structure parameters

• Chemical name: [(4-(1,3,5,5,7,9-hexamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)phenyl)(methyl)diphenylantimony(V)]trifluoromethanesulfonate
• Formula: C35 H37 B F3 N2 O3 S Sb
• Calculated formula: C35 H37 B F3 N2 O3 S Sb
• SMILES: [Sb+](c1ccc(C2=c3[n](c(C)cc3C)[B](C)(C)n3c2c(cc3C)C)cc1)(c1ccccc1)(c1ccccc1)C.O=S(=O)([O-])C(F)(F)F
• 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: 13.6694 ± 0.0006 Å
• b: 24.9626 ± 0.0012 Å
• c: 10.0894 ± 0.0005 Å
• α: 90°
• β: 94.504 ± 0.002°
• γ: 90°
• Cell volume: 3432.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No