Information card for entry 1502437

Structure parameters

• Formula: C32 H36 B N
• Calculated formula: C32 H36 B N
• SMILES: N(c1c(c2c(cccc2)B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cccc1)(C)C
• Title of publication: Through-space charge-transfer emitting biphenyls containing a boryl and an amino group at the o,o'-positions.
• Authors of publication: Pan, Hong; Fu, Guang-Liang; Zhao, Yi-Hong; Zhao, Cui-Hua
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 4830 - 4833
• a: 18.568 Å
• b: 8.451 Å
• c: 16.951 Å
• α: 90°
• β: 91.12°
• γ: 90°
• Cell volume: 2659.41 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: 0.0679
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No