Information card for entry 7238448

Structure parameters

• Formula: C22 H21 B F2 N2 O3
• Calculated formula: C22 H21 B F2 N2 O3
• Title of publication: Controlled Knoevenagel reactions of methyl groups of 1,3,5,7-tetramethyl BODIPY dyes for unique BODIPY dyes
• Authors of publication: Zhu, Shilei; Zhang, Jingtuo; Vegesna, Giri; Tiwari, Ashutosh; Luo, Fen-Tair; Zeller, Matthias; Luck, Rudy; Li, Haihua; Green, Sarah; Liu, Haiying
• Journal of publication: RSC Adv.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 404
• a: 6.5685 ± 0.0005 Å
• b: 8.8104 ± 0.0006 Å
• c: 16.478 ± 0.001 Å
• α: 81.757 ± 0.001°
• β: 84.965 ± 0.001°
• γ: 85.897 ± 0.001°
• Cell volume: 938.42 ± 0.11 ų
• Cell temperature: 447 ± 2 K
• Ambient diffraction temperature: 447 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No