Information card for entry 7118015

Structure parameters

• Formula: C29 H25 B N2
• Calculated formula: C29 H25 B N2
• SMILES: [n]12c(ccc3c1cccc3)c1c(cc(N(c3ccccc3)c3ccccc3)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: 17.3899 ± 0.0003 Å
• b: 10.3122 ± 0.0002 Å
• c: 26.5129 ± 0.0005 Å
• α: 90°
• β: 108.487 ± 0.001°
• γ: 90°
• Cell volume: 4509.16 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No