Information card for entry 7031442

Structure parameters

• Formula: C25 H22 B F2 N3
• Calculated formula: C25 H22 B F2 N3
• SMILES: F[B]1(F)[n]2cccc2=C(c2n1ccc2)c1ccc2n(c3c(c2c1)cccc3)CCCC
• Title of publication: Carbazole substituted boron dipyrromethenes.
• Authors of publication: Kesavan, Praseetha E.; Gupta, Iti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12405 - 12413
• a: 14.613 ± 0.0004 Å
• b: 18.4723 ± 0.0005 Å
• c: 7.8475 ± 0.0002 Å
• α: 90°
• β: 104.506 ± 0.007°
• γ: 90°
• Cell volume: 2050.79 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No