Information card for entry 1504427

Structure parameters

• Formula: C22 H16 B I2 N O
• Calculated formula: C22 H16 B I2 N O
• SMILES: [n]12c(ccc3cccc(c13)O[B]2(c1ccc(cc1)I)c1ccc(cc1)I)C
• Title of publication: Synthesis of Methyl-Substituted Main-Chain-Type Organoboron Quinolate Polymers and Their Emission Color Tuning
• Authors of publication: Nagata, Yuuya; Chujo, Yoshiki
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2809
• a: 10.946 ± 0.003 Å
• b: 14.726 ± 0.003 Å
• c: 12.5476 ± 0.0017 Å
• α: 90°
• β: 95.614 ± 0.016°
• γ: 90°
• Cell volume: 2012.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No