Information card for entry 7118016

Structure parameters

• Formula: C27 H20 B N
• Calculated formula: C27 H20 B N
• SMILES: [n]12c(ccc3c1cccc3)c1c(cc3ccc4cccc5c4c3c1cc5)[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: 8.898 ± 0.0004 Å
• b: 7.0675 ± 0.0003 Å
• c: 30.362 ± 0.0014 Å
• α: 90°
• β: 98 ± 0.003°
• γ: 90°
• Cell volume: 1890.78 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No