Information card for entry 4341565

Structure parameters

• Formula: C22 H21 B F2 N4 O
• Calculated formula: C22 H21 B F2 N4 O
• SMILES: F[B]1(F)[N](=NC(=NN1c1ccc(cc1)C)c1ccc(OC)cc1)c1ccc(cc1)C
• Title of publication: Substituent-dependent optical and electrochemical properties of triarylformazanate boron difluoride complexes.
• Authors of publication: Barbon, Stephanie M.; Price, Jacquelyn T.; Reinkeluers, Pauline A.; Gilroy, Joe B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10585 - 10593
• a: 10.362 ± 0.006 Å
• b: 28.12 ± 0.017 Å
• c: 28.16 ± 0.02 Å
• α: 117.075 ± 0.013°
• β: 96.626 ± 0.017°
• γ: 98.667 ± 0.016°
• Cell volume: 7063 ± 8 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.1407
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No