Information card for entry 7157219

Structure parameters

• Formula: C23 H23 B N2 O2
• Calculated formula: C23 H23 B N2 O2
• Title of publication: A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor.
• Authors of publication: Shimomura, N.; Egawa, Y.; Miki, R.; Fujihara, T.; Ishimaru, Y.; Seki, T.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 10031 - 10036
• a: 7.2732 ± 0.0009 Å
• b: 18.924 ± 0.002 Å
• c: 31.436 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4326.8 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No