Information card for entry 4024002

Structure parameters

• Formula: C36 H26 B2 N2
• Calculated formula: C36 H26 B2 N2
• SMILES: B12C(C3B4C(C=CC=3)=C(C=C3C=CC=CN43)c3ccccc3)=CC=CC1=C(C=C1C=CC=CN21)c1ccccc1
• Title of publication: Synthesis, Characterization, and Fluorescence Behavior of Twisted and Planar B~2~N~2~-Quaterphenyl Analogues
• Authors of publication: Cory A. Jaska; Warren E. Piers; Robert McDonald; Masood Parvez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 5234 - 5243
• a: 11.683 ± 0.003 Å
• b: 20.619 ± 0.004 Å
• c: 11.111 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2676.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No