Information card for entry 4337403

Structure parameters

• Formula: C26 H23 B F2 N4 O2
• Calculated formula: C26 H23 B F2 N4 O2
• SMILES: F[B]1(F)[n]2c(ccc2=C(c2ccc(cc2)C)c2n1c(cc2)C(OC)OC)c1[nH]c2c(n1)cccc2
• Title of publication: Boron-dipyrromethene based reversible and reusable selective chemosensor for fluoride detection.
• Authors of publication: Madhu, Sheri; Ravikanth, Mangalampalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1646 - 1653
• a: 10.477 ± 0.008 Å
• b: 20.632 ± 0.013 Å
• c: 10.772 ± 0.007 Å
• α: 90°
• β: 103.96 ± 0.011°
• γ: 90°
• Cell volume: 2260 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.19
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.294
• Weighted residual factors for all reflections included in the refinement: 0.3965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No