Information card for entry 1504430

Structure parameters

• Formula: C24 H19 B Cl2 I2 N2 O
• Calculated formula: C24 H19 B Cl2 I2 N2 O
• SMILES: Ic1ccc(cc1)[B]1([n]2c3c(ccc2)cccc3N1C(=O)C)c1ccc(I)cc1.ClCCl
• 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: 16.7466 ± 0.0003 Å
• b: 20.0392 ± 0.0005 Å
• c: 29.3774 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9858.7 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No