Information card for entry 7155079

Structure parameters

• Common name: 1:1 ?-glucofuranose BODIPY ester
• Formula: C44 H46 B2 N4 O17
• Calculated formula: C44 H46 B2 N4 O17
• Title of publication: Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.
• Authors of publication: Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 5205 - 5209
• a: 37.5988 ± 0.0015 Å
• b: 14.8713 ± 0.0006 Å
• c: 8.2281 ± 0.0003 Å
• α: 90°
• β: 93.381 ± 0.003°
• γ: 90°
• Cell volume: 4592.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No