Information card for entry 4028231

Structure parameters

• Formula: C26 H23 B F2 N4 O2
• Calculated formula: C26 H23 B F2 N4 O2
• SMILES: F[B]1(F)[n]2c(=C(c3ccc(cc3)C)c3n1c(cc3)/C=C/C=O)ccc2/C=C/C=O.N#CC.N#CC
• Title of publication: Synthesis of 3,5-Bis(acrylaldehyde) Boron-dipyrromethene and Application in Detection of Cysteine and Homocysteine in Living Cells
• Authors of publication: Sheri Madhu; Rajesh Gonnade; Mangalampalli Ravikanth
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 5056 - 5060
• a: 6.771 ± 0.0004 Å
• b: 12.089 ± 0.0007 Å
• c: 14.8586 ± 0.0009 Å
• α: 99.663 ± 0.003°
• β: 93.799 ± 0.003°
• γ: 91.628 ± 0.003°
• Cell volume: 1195.39 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No