Information card for entry 1508251

Structure parameters

• Formula: C41 H41 B F2 N3 O4
• Calculated formula: C41 H41 B F2 N3 O4
• Title of publication: Highly Photostable Near-Infrared Fluorescent pH Indicators and Sensors Based on BF(2)-Chelated Tetraarylazadipyrromethene Dyes.
• Authors of publication: Jokic, Tijana; Borisov, Sergey M.; Saf, Robert; Nielsen, Daniel A.; Kühl, Michael; Klimant, Ingo
• Journal of publication: Analytical chemistry
• Year of publication: 2012
• Journal volume: 84
• Journal issue: 15
• Pages of publication: 6723 - 6730
• a: 13.9037 ± 0.0019 Å
• b: 14.469 ± 0.002 Å
• c: 17.351 ± 0.003 Å
• α: 90°
• β: 99.652 ± 0.004°
• γ: 90°
• Cell volume: 3441.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No