Information card for entry 1504429

Structure parameters

• Formula: C23 H19 B N2 O
• Calculated formula: C23 H19 B N2 O
• SMILES: O=C(N1c2c3[n]([B]1(c1ccccc1)c1ccccc1)cccc3ccc2)C
• Title of publication: Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior
• Authors of publication: Nagata, Yuuya; Chujo, Yoshiki
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3488
• a: 10.127 ± 0.003 Å
• b: 12.996 ± 0.004 Å
• c: 14.471 ± 0.006 Å
• α: 91.987 ± 0.017°
• β: 100.256 ± 0.017°
• γ: 107.122 ± 0.014°
• Cell volume: 1783.3 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No