Information card for entry 1515712

Structure parameters

• Formula: C18 H17 B F2 N2 O0
• Calculated formula: C18 H17 B F2 N2
• Title of publication: Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.
• Authors of publication: Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2011
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1030 - 1038
• a: 6.554 ± 0.003 Å
• b: 26.198 ± 0.011 Å
• c: 9.732 ± 0.004 Å
• α: 90°
• β: 105.458 ± 0.008°
• γ: 90°
• Cell volume: 1610.6 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No