Information card for entry 7118017

Structure parameters

• Formula: C29 H23 B N2
• Calculated formula: C29 H23 B N2
• SMILES: [n]12c(ccc3c1cccc3)c1c(cc(n3c4ccccc4c4c3cccc4)cc1)[B]2(C)C
• Title of publication: Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons
• Authors of publication: Aslam C. Shaikh; Dnyanesh S. Ranade; Shridhar Thorat; Arunava Maity; Prasad P. Kulkarni; Rajesh G. Gonnade; Parthapratim Munshi; Nitin T. Patil
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16115
• a: 9.3145 ± 0.0005 Å
• b: 9.7778 ± 0.0006 Å
• c: 12.5665 ± 0.0007 Å
• α: 83.55 ± 0.003°
• β: 84.896 ± 0.003°
• γ: 76.744 ± 0.003°
• Cell volume: 1104.59 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No