Information card for entry 7118019

Structure parameters

• Formula: C21 H25 B N2
• Calculated formula: C21 H25 B N2
• SMILES: [n]12[B](c3c(c1ccc1c2cccc1)ccc(N(C)C)c3)(CC)CC
• 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: 7.9636 ± 0.0002 Å
• b: 8.8054 ± 0.0002 Å
• c: 14.8492 ± 0.0005 Å
• α: 106.476 ± 0.002°
• β: 90.57 ± 0.002°
• γ: 116.512 ± 0.002°
• Cell volume: 882.12 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No