Information card for entry 7030107

Structure parameters

• Formula: C19 H20 B F2 N3
• Calculated formula: C19 H20 B F2 N3
• SMILES: [B]1([n]2c(cc(c2=C(c2ccc(N)cc2)c2n1c(cc2C)C)C)C)(F)F
• Title of publication: A simple BODIPY-aniline-based fluorescent chemosensor as multiple logic operations for the detection of pH and CO2 gas.
• Authors of publication: Pan, Zhong-Hua; Luo, Geng-Geng; Zhou, Jing-Wei; Xia, Jiu-Xu; Fang, Kai; Wu, Rui-Bo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8499 - 8507
• a: 10.8093 ± 0.0004 Å
• b: 11.5942 ± 0.0004 Å
• c: 14.0953 ± 0.0004 Å
• α: 90°
• β: 104.662 ± 0.001°
• γ: 90°
• Cell volume: 1708.97 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0974
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No